Phenylpropane as an Alternative Dearomatizing Unit of Indoles: Discovery of Inaequalisines A and B Using Substructure-Informed Molecular Networking
Gaëla Cauchie
Elvis Otogo N’Nang
Justin J. J. van der Hooft
Pierre Le Pogam
Guillaume Bernadat
Jean-François Gallard
Brice Kumulungui
Pierre Champy
Erwan Poupon
Mehdi A. Beniddir
Organic Letters, 2020-8-7
Erwan Poupon
Poupon Erwan
ORCID: 0000-0002-1178-6083
Biomimetic Organic Synthesis
10.1002/9783527634606
ChemInform Abstract: Manipulating Simple Reactive Chemical Units: Fishing for Alkaloids from Complex Mixtures
10.1002/chin.201538238
ChemInform Abstract: Biomimetic Synthesis of Manzamine Alkaloids
10.1002/chin.201151261
Questions about the structures of nitraraine and nitraraidine
10.1016/j.tetlet.2011.09.101
Biomimetic Synthesis of Manzamine Alkaloids
10.1002/9783527634606.ch6
Biomimetic Organic Synthesis. Edited by Erwan Poupon and Bastien Nay.
10.1002/anie.201107291
Biomimetic Organic Synthesis. Herausgegeben von Erwan Poupon und Bastien Nay.
10.1002/ange.201107291
ChemInform Abstract: Biogenesis and Biomimetic Chemistry: Can Complex Natural Products Be Assembled Spontaneously?
10.1002/chin.200816237
Biogenetic Hypothesis and First Steps Toward a Biomimetic Synthesis of Haouamines.
10.1002/chin.200724169
Chapter 4 Quinone sesquiterpenes: A challenge for the development of a new synthetic methodology
10.1016/s1874-6004(04)80027-3
ChemInform Abstract: Biomimetic Synthesis of Ornithine/Arginine- and Lysine-Derived Alkaloids: Selected Examples
10.1002/chin.201152224
Biomimetic Synthesis of Tangutorine Following New Biogenetic Proposals†
10.1021/ol9002916
Quinone Sesquiterpenes: A Challenge for the Development of a New Synthetic Methodology
10.1002/chin.200542279
Biomimetic investigations from reactive lysine-derived C5 units: one step synthesis of complex polycyclic alkaloids from the Nitraria genus
10.1016/j.tet.2005.12.069
Particular behavior of ‘C6C2 units’ in the Chichibabin pyridine synthesis and biosynthetic implications
10.1016/j.tetlet.2011.05.014
Retracted article: Biogenetic hypothesis and first steps towards a biomimetic synthesis of haouamines
10.1039/b613737g
Biotransformations versus chemical modifications: new cytotoxic analogs of marine sesquiterpene ilimaquinone
10.1016/j.tetlet.2016.09.075
Divergent Oxidative Couplings between Indoles and 2,3-Dihydroxybenzoic Acid Derivatives for the Biomimetic Synthesis of Voacalgine A and Bipleiophylline
10.1055/s-0036-1589530
Biomimetically relevant self-condensations of C5 units derived from lysine
10.1039/b926786g
New Piperidine Scaffolds via Nucleophilic Reactivity of (−)-Phenyloxazolopiperidine
10.1021/jo0499524
Biodegradable polymeric nanoformulation based on the antiprotozoal canthin-6-one
10.1007/s11051-011-0580-z
Erratum to “Questions about the structures of nitraraine and nitraraidine” [Tetrahedron Lett. 2011, 52, 6453–6456]
10.1016/j.tetlet.2012.01.048
Pyrone and Unusually Furanone-substituted Flavones from the Leaves of Hoslundia opposita
10.1055/s-0032-1315256
Natural product-like skeletons from curcuminoids under oxidative dearomatization conditions
10.1055/s-0032-1321332
ChemInform Abstract: Spontaneous Formation of Nitrarine and Polycyclic Skeletons Related to Nitraria Indolic Alkaloids under Non-enzymic Conditions.
10.1002/chin.201414171
Phytoelectrochemical analysis of Zanthoxylum chiloperone
10.1002/pca.2657
Biomimetic Synthesis of Ornithine/Arginine and Lysine-Derived Alkaloids: Selected Examples
10.1002/9783527634606.ch1
ChemInform Abstract: Synthesis of (-)-Ilimaquinone (I) via a Radical Decarboxylation and Quinone Addition Reaction.
10.1002/chin.200234201
ChemInform Abstract: Biosynthesis and Biomimetic Synthesis of Alkaloids Isolated from Plants of the Nitraria and Myrioneuron Genera: An Unusual Lysine-Based Metabolism
10.1002/chin.201025269
Synthesis of the Indolic Pentacyclic Core of Manadomanzamine A Following Biogenetically Based Strategies
10.1002/ejoc.201101133
Solid-State Electrochemical Assay of Heme-Binding Molecules for Screening of Drugs with Antimalarial Potential
10.1021/ac303746k
Composition, and Antimicrobial and Remarkable Antiprotozoal Activities of the Essential Oil of Rhizomes of Aframomum sceptrum K. Schum. (Zingiberaceae)
10.1002/cbdv.201000216
Spontaneous Formation of Nitrarine and Polycyclic Skeletons Related toNitrariaIndolic Alkaloids under Non-Enzymic Conditions
10.1002/chem.201301877
Frontispiece: An Unprecedented Blue Chromophore Found in Nature using a “Chemistry First” and Molecular Networking Approach: Discovery of Dactylocyanines A-H
10.1002/chem.201785864
Ilimaquinone and 5-epi-Ilimaquinone: Beyond a Simple Diastereomeric Ratio, Biosynthetic Considerations from NMR-Based Analysis
10.1071/ch16455
Labdane diterpenoids from Aframomum sceptrum: NMR study and antiparasitic activities
10.1016/j.phytol.2011.04.006
Zanthoxylum chiloperone leaves extract: First sustainable Chagas disease treatment
10.1016/j.jep.2010.11.032
Emergence of diversity and stereochemical outcomes in the biosynthetic pathways of cyclobutane-centered marine alkaloid dimers
10.1039/c5np00159e
Biomimetic Three-Component Assembly of the Central Core of Halichonadins K and L
10.1002/ejoc.201201316
5-Aminopenta-2,4-dienals: Synthesis, Activation towards Nucleophiles, Molecular Modeling and Biosynthetic Implications in Relation to the Manzamine Alkaloids
10.1002/ejoc.201402331
Alkaloids from Rutaceae: activities of canthin-6-one alkaloids and synthetic analogues on glioblastoma stems cells
10.1039/c2md20047c
A Unified Bioinspired “Aplysinopsin Cascade”: Total Synthesis of (±)-Tubastrindole B and Related Biosynthetic Congeners
10.1021/ol502177m
Harnessing the Intrinsic Reactivity within the Aplysinopsin Series for the Synthesis of Intricate Dimers: Natural from Start to Finish
10.1055/s-0034-1381032
Spontaneous Biomimetic Formation of (±)-Dictazole B under Irradiation with Artificial Sunlight
10.1002/anie.201403454
Preakuammicine: A Long-Awaited Missing Link in the Biosynthesis of Monoterpene Indole Alkaloids (Eur. J. Org. Chem. 8/2016)
10.1002/ejoc.201690014
Annonaceous Acetogenins: The Hydroxyl Groups and THF Rings Are Crucial Structural Elements for Targeting the Mitochondria, Demonstration with the Synthesis of Fluorescent Squamocin Analogues
10.1002/cbic.200400396
Mimicking the Main Events of the Biosynthesis of Drimentines: Synthesis of Δ8′-Isodrimentine A and Related Compounds
10.1002/ejoc.201600444
Synthesis of (−)-Ilimaquinone via a Radical Decarboxylation and Quinone Addition Reaction
10.1021/ol025501z
Polyneuridine aldehyde: structure, stability overviews and a plausible origin of flavopereirine
10.1016/j.tetlet.2016.03.019
Chiral Nonracemic Synthesis and Reactivity of Two New Endocyclic Enamines in the Phenyloxazolopiperidine Series
10.1021/jo990706f
New Building Blocks for Tackling the Synthesis of Polyhydroxylated Piperidines: Expeditious Synthesis of Amino Derivatives in the 1-Deoxynojirimycin Series
10.1021/jo000434c
Solution Phase and Nanoparticular Biosynthetically Inspired Interconnections in the Canthin-6-one β-Carboline Series and Study of Phenotypic Properties onC. elegans
10.1002/ejoc.201300770
Chemical Constituents of Nitraria retusa Grown in Egypt
10.1007/s10600-017-2182-1
Remarkable substituent effect: β-aminosquamocin, a potent dual inhibitor of mitochondrial complexes I and III
10.1016/j.bbabio.2005.07.011
Biomimetic One-Step Access to Nitraramine from Simple C5Units. Revision of the Previously Reported Structure of Epinitraramine to Nitraramine
10.1021/ol050849q
ChemInform Abstract: A Unified Bioinspired “Aplysinopsin Cascade”: Total Synthesis of (.+-.)-Tubastrindole B and Related Biosynthetic Congeners.
10.1002/chin.201514263
Analogues of cytotoxic squamocin using reliable reactions: new insights into the reactivity and role of the α,β-unsaturated lactone of the annonaceous acetogenins
10.1016/j.tet.2006.04.066
Effects of canthin-6-one alkaloids from Zanthoxylum chiloperone on Trypanosoma cruzi-infected mice
10.1016/j.jep.2006.07.028
Reductive and Oxidative Transformations of theN-(Cyanomethyl)oxazolidine System to Expand the Chiral Pool of Piperidines
10.1002/ejoc.200400404
Synthesis of polyhydroxylated piperidines and evaluation as glycosidase inhibitors
10.1016/j.bmc.2004.07.039
Highly cytotoxic and neurotoxic acetogenins of the Annonaceae: New putative biological targets of squamocin detected by activity-based protein profiling
10.1016/j.bmcl.2008.09.091
Extraction, Hemisynthesis, and Synthesis of Canthin-6-one Analogues. Evaluation of Their Antifungal Activities
10.1021/np050250z
An Expeditious Total Synthesis of the Natural Stereomeric Mixture of Stenusine Following a Possible Biogenetic Pathway
10.1002/(sici)1521-3773(20000417)39:8<1493::aid-anie1493>3.0.co;2-#
Semisynthesis and Screening of a Small Library of Pro-Apoptotic Squamocin Analogues: Selection and Study of a Benzoquinone Hybrid with an Improved Biological Profile.
10.1002/cmdc.200500011
dsDNA, ssDNA, G-quadruplex DNA, and nucleosomal DNA electrochemical screening using canthin-6-one alkaloid-modified electrodes
10.1016/j.electacta.2013.11.025
Unified biomimetic assembly of voacalgine A and bipleiophylline via divergent oxidative couplings
10.1038/nchem.2735
Divergent Oxidative Couplings between Indoles and 1,2-Dihydroxybenzoic Acid Derivatives for the Biomimetic Synthesis of Voacalgine A and Bipleiophylline
10.1055/s-0036-1591910
Bioinspired Oxidative Cyclization of the Geissoschizine Skeleton for the Total Synthesis of (−)-17-nor-Excelsinidine
10.1002/ange.201802610
Unified Synthesis of Quinone Sesquiterpenes Based on a Radical Decarboxylation and Quinone Addition Reaction
10.1021/ja027517q
DNA-Templated [2+2] Photocycloaddition: A Straightforward Entry into the Aplysinopsin Family of Natural Products
10.1002/anie.201806357
DNA-Templated [2+2] Photocycloaddition: A Straightforward Entry into the Aplysinopsin Family of Natural Products
10.1002/ange.201806357
Pleiokomenines A and B: Dimeric Aspidofractinine Alkaloids Tethered with a Methylene Group
10.1021/acs.orglett.7b03098
Bioinspired Oxidative Cyclization of the Geissoschizine Skeleton for the Total Synthesis of (−)-17-nor-Excelsinidine
10.1002/anie.201802610
Cover Feature: A Ring-Distortion Strategy from Marine Natural Product Ilimaquinone Leads to Quorum Sensing Modulators (Eur. J. Org. Chem. 20-21/2018)
10.1002/ejoc.201800740
Theionbrunonines A and B: Dimeric Vobasine Alkaloids Tethered by a Thioether Bridge from Mostuea brunonis
10.1021/acs.orglett.8b02961
Insights into the Biosynthesis of Cyclic Guanidine Alkaloids from Crambeidae Marine Sponges.
10.1002/anie.201809539
Collected mass spectrometry data on monoterpene indole alkaloids from natural product chemistry research
10.1038/s41597-019-0028-3
Natural products targeting strategies involving molecular networking: different manners, one goal
10.1039/c9np00006b
Bioinspired Oxidative Cyclization of the Geissoschizine Skeleton for the Enantioselective Total Synthesis of Mavacuran Alkaloids
10.1002/anie.201905227
CANPA: Computer-Assisted Natural Products Anticipation
10.1021/acs.analchem.9b02216
Phenylpropane as an Alternative Dearomatizing Unit of Indoles: Discovery of Inaequalisines A and B Using Substructure-Informed Molecular Networking
10.1021/acs.orglett.0c02153
Biosynthetic Routes to Natural Isocyanides
10.1002/ejoc.201901694
Biosynthetically relevant reactivity of polyneuridine aldehyde
10.1002/ejoc.202000963
In Silico Anticipation of Metabolic Pathways Extended to Organic Chemistry Reactions: A Case Study with Caffeine Alkaline Hydrolysis and The Origin of Camellimidazoles
10.1002/chem.202002196
Molecular Networking Reveals Serpentinine-Related Bisindole Alkaloids from Picralima nitida, a Previously Well-Investigated Species
10.1021/acs.jnatprod.9b01247
The chemistry of mavacurane alkaloids: a rich source of bis-indole alkaloids
10.1039/d0np00088d
Solid-Phase Extraction Embedded Dialysis (SPEED), an Innovative Procedure for the Investigation of Microbial Specialized Metabolites
10.3390/md19070371
Mehdi Beniddir
Beniddir Mehdi
ORCID: 0000-0003-2153-4290
Revisiting Previously Investigated Plants: A Molecular Networking-Based Study of Geissospermum laeve
10.1021/acs.jnatprod.6b01013
DNA-Templated [2+2] Photocycloaddition: A Straightforward Entry into the Aplysinopsin Family of Natural Products
10.1002/anie.201806357
Two new triterpenoids from the roots of Phyllanthus emblica
10.1016/j.fitote.2018.08.022
Unified biomimetic assembly of voacalgine A and bipleiophylline via divergent oxidative couplings
10.1038/NCHEM.2735
Resolving the (19 R) Absolute Configuration of Lanciferine, a Monoterpene Indole Alkaloid from Alstonia boulindaensis
10.1021/acs.jnatprod.7b00957
Biomimetic assembly of leucoridine A
10.1002/ejoc.201500041
Bisindole alkaloid artifacts from Gonioma malagasy
10.1016/j.tetlet.2013.01.052
Chemical Constituents of Nitraria retusa Grown in Egypt
10.1007/s10600-017-2182-1
Acridone alkaloids from Glycosmis chlorosperma as DYRK1A inhibitors
10.1021/np400856h
Ilimaquinone and 5-epi-Ilimaquinone: Beyond a Simple Diastereomeric Ratio, Biosynthetic Considerations from NMR-Based Analysis
10.1071/CH16455
Tsavoenones A-C: Unprecedented polyketides with a 1,7-dioxadispiro[4.0.4.4]tetradecane core from the lichen: Parmotrema tsavoense
10.1039/c8ob01280f
Pleiokomenines A and B: Dimeric Aspidofractinine Alkaloids Tethered with a Methylene Group
10.1021/acs.orglett.7b03098
Biotransformations versus chemical modifications: new cytotoxic analogs of marine sesquiterpene ilimaquinone
10.1016/j.tetlet.2016.09.075
Sanctis A–C: Three Racemic Procyanidin Analogues from The Lichen Parmotrema sancti-angelii
10.1002/ejoc.201800202
A Ring-Distortion Strategy from Marine Natural Product Ilimaquinone Leads to Quorum Sensing Modulators
10.1002/ejoc.201800047
Sulfonic Acid-Containing Flavonoids from the Roots of Phyllanthus acidus
10.1021/acs.jnatprod.8b00322
Spontaneous biomimetic formation of (±)-dictazole B under irradiation with artificial sunlight
10.1002/anie.201403454
Diarylheptanoid glucosides from Pyrostria major and their antiprotozoal activities
10.1002/ejoc.201101414
A unified bioinspired "aplysinopsin cascade": Total synthesis of (±)-tubastrindole B and related biosynthetic congeners
10.1021/ol502177m
Turrianes from Kermadecia rotundifolia as new acetylcholinesterase inhibitors
10.1016/j.phytol.2009.12.003
Goniomedines A and B: Unprecedented bisindole alkaloids formed through fusion of two indole moieties via a dihydropyran unit
10.1021/ol301832t
An Unprecedented Blue Chromophore Found in Nature using a “Chemistry First” and Molecular Networking Approach: Discovery of Dactylocyanines A–H
10.1002/chem.201702336
Harnessing the Intrinsic Reactivity within the Aplysinopsin Series for the Synthesis of Intricate Dimers: Natural from Start to Finish
10.1055/s-0034-1381032
Emergence of diversity and stereochemical outcomes in the biosynthetic pathways of cyclobutane-centered marine alkaloid dimers
10.1039/c5np00159e
Anti-AGEs and antiparasitic activity of an original prenylated isoflavonoid and flavanones isolated from Derris ferruginea
10.1016/j.phytol.2013.06.002
Antiplasmodial Securinega alkaloids from Phyllanthus fraternus: Discovery of natural (+)-allonorsecurinine
10.1016/j.tetlet.2017.08.045
Antiplasmodial activity of selected medicinal plants used to treat malaria in Ghana
10.1007/s00436-016-5080-8
Mimicking the Main Events of the Biosynthesis of Drimentines: Synthesis of Δ8′-Isodrimentine A and Related Compounds
10.1002/ejoc.201600444
DP4-assisted structure elucidation of isodemethylchodatin, a new norlichexanthone derivative meager in h-atoms, from the lichen parmotrema tsavoense
10.3390/molecules24081527
New Benthic Cyanobacteria from Guadeloupe Mangroves as Producers of Antimicrobials
10.3390/md18010016
Atypical lindenane-type sesquiterpenes from Lindera myrrha
10.3390/molecules25081830
Corynanthean-epicatechin flavoalkaloids from Corynanthe pachyceras
10.3390/molecules25112654
Three novel non-nitrogenous cassane diterpenoids from Erythrophleum suaveolens (Guill. et Perr.) Brenan (Fabaceae)
10.1080/14786419.2019.1650354
Spectroscopic data of new cassane diterpenoids from the root bark of Erythrophleum suaveolens
10.1016/j.dib.2019.104315
Potential of fascaplysin and palauolide from Fascaplysinopsis cf reticulata to reduce the risk of bacterial infection in fish farming
10.1186/s41240-019-0145-0
Natural products targeting strategies involving molecular networking: Different manners, one goal
10.1039/c9np00006b
Collected mass spectrometry data on monoterpene indole alkaloids from natural product chemistry research
10.1038/s41597-019-0028-3
Streamlined targeting of Amaryllidaceae alkaloids from the bulbs of Crinum scillifolium using spectrometric and taxonomically-informed scoring metabolite annotations
10.1016/j.phytochem.2020.112485
The value of universally available raw NMR data for transparency, reproducibility, and integrity in natural product research
10.1039/c7np00064b
Five new cassane diterpenes from the seeds and bark of Erythrophleum suaveolens
10.1016/j.fitote.2020.104700
Phenylpropane as an Alternative Dearomatizing Unit of Indoles: Discovery of Inaequalisines A and B Using Substructure-Informed Molecular Networking
10.1021/acs.orglett.0c02153
Further terpenoids from Euphorbia tirucalli
10.1016/j.fitote.2019.04.001
CANPA: Computer-Assisted Natural Products Anticipation
10.1021/acs.analchem.9b02216
Eumitrins C-E: Structurally diverse xanthone dimers from the vietnamese lichen Usnea baileyi
10.1016/j.fitote.2019.104449
New cassane diterpenoids from the root bark of Erythrophleum suaveolens
10.1016/j.phytol.2019.04.001
Theionbrunonines A and B: Dimeric Vobasine Alkaloids Tethered by a Thioether Bridge from Mostuea brunonis
10.1021/acs.orglett.8b02961
Nervisides I–J: Unconventional side-chain-bearing cycloartane glycosides from nervilia concolor
10.3390/molecules24142599
Molecular Networking Reveals Serpentinine-Related Bisindole Alkaloids from Picralima nitida, a Previously Well-Investigated Species
10.1021/acs.jnatprod.9b01247
Metabolomics-Driven Discovery of Meroterpenoids from a Mussel-Derived Penicillium ubiquetum
10.1021/acs.jnatprod.8b00569
A thorough evaluation of matrix-free laser desorption ionization on structurally diverse alkaloids and their direct detection in plant extracts
10.1007/s00216-020-02872-6
Chemical Insights into the Anchinopeptolide Series
10.1002/ejoc.201900625
Solid-Phase Extraction Embedded Dialysis (SPEED), an Innovative Procedure for the Investigation of Microbial Specialized Metabolites
10.3390/md19070371
Justin van der Hooft
van der Hooft Justin
/ Justin J.J. van der Hooft
ORCID: 0000-0002-9340-5511
Structural elucidation of low abundant metabolites in complex sample matrices
10.1007/s11306-013-0519-8
Non-smoky GLYCOSYLTRANSFERASE1 prevents the release of smoky aroma from tomato fruit
10.1105/tpc.113.114231
Automatic chemical structure annotation of an LC-MSn based metabolic profile from green tea
10.1021/ac400861a
Substructure-based annotation of high-resolution multistage MSn spectral trees
10.1002/rcm.6364
Structural annotation and elucidation of conjugated phenolic compounds in black, green, and white tea extracts
10.1021/jf300297y
Structural elucidation and quantification of phenolic conjugates present in human urine after tea intake
10.1021/ac3017339
Spectral trees as a robust annotation tool in LC-MS based metabolomics
10.1007/s11306-011-0363-7
Metabolite identification using automated comparison of high-resolution multistage mass spectral trees
10.1021/ac2034216
Inhibitory activity of plumbagin produced by Drosera intermedia on food spoilage fungi
10.1002/jsfa.5522
A strategy for fast structural elucidation of metabolites in small volume plant extracts using automated MS-guided LC-MS-SPE-NMR
10.1002/mrc.2833
Thermal diffusivity of periderm from tomatoes of different maturity stages as determined by the concept of the frequency-domain open photoacoustic cell
10.1063/1.3530735
Polyphenol identification based on systematic and robust high-resolution accurate mass spectrometry fragmentation
10.1021/ac102546x
Iridoid and caffeoyl phenylethanoid glycosides of the endangered carnivorous plant Pinguicula lusitanica L. (Lentibulariaceae)
10.1016/j.bse.2009.05.003
Topic modeling for untargeted substructure exploration in metabolomics
10.1073/pnas.1608041113
Propagating annotations of molecular networks using in silico fragmentation
10.1371/journal.pcbi.1006089
Did a plant-herbivore arms race drive chemical diversity in Euphorbia?
10.1101/323014
Automatic Compound Annotation from Mass Spectrometry Data Using MAGMa.
10.5702/massspectrometry.S0033
Interactions of blacktea polyphenols with human gut microbiota: implications for gut and cardiovascular health
10.3945/ajcn.113.058263
Identification of a drimenol synthase and drimenol oxidase from Persicaria hydropiper, involved in the biosynthesis of insect deterrent drimanes
10.1111/tpj.13527
Enhanced Acylcarnitine Annotation in High-Resolution Mass Spectrometry Data: Fragmentation Analysis for the Classification and Annotation of Acylcarnitines
10.3389/fbioe.2015.00026
Rapid and sustained systemic circulation of conjugated gut microbiol catabolites after single-dose black tea extract consumption
10.1021/pr5001253
In Silico Prediction and Automatic LC–MSn Annotation of Green Tea Metabolites in Urine
10.1021/ac403875b
Unexpected differential metabolic responses of Campylobacter jejuni to the abundant presence of glutamate and fucose
10.1007/s11306-018-1438-5
Comprehensive mass spectrometry-guided plant specialized metabolite phenotyping reveals metabolic diversity in the cosmopolitan plant family Rhamnaceae
10.1101/463620
Deciphering complex metabolite mixtures by unsupervised and supervised substructure discovery and semi-automated annotation from MS/MS spectra
10.1101/491506
Accelerating metabolite identification in natural product research: toward an ideal combination of LC-HRMS/MS and NMR profiling, in silico databases and chemometrics
10.1021/acs.analchem.8b05112
Untargeted Mass Spectrometry-Based Metabolomics Tracks Molecular Changes in Raw and Processed Foods and Beverages
10.1101/347716
Absorption, metabolism, distribution and excretion of (−)-epicatechin: A review of recent findings
https://doi.org/10.1016/j.mam.2017.11.002
Metabolite Identification in Complex Mixtures Using Nuclear Magnetic Resonance Spectroscopy
10.1007/978-3-319-28275-6_6-2
Ms2lda.org: web-based topic modelling for substructure discovery in mass spectrometry
10.1093/bioinformatics/btx582
A comprehensive evaluation of the [2-14C](–)-epicatechin metabolome in rats
https://doi.org/10.1016/j.freeradbiomed.2016.08.001
The food metabolome: a window over dietary exposure
10.3945/ajcn.113.076133
Human studies on the absorption, distribution, metabolism, and excretion of tea polyphenols
10.3945/ajcn.113.058958
Unsupervised Discovery and Comparison of Structural Families Across Multiple Samples in Untargeted Metabolomics
10.1021/acs.analchem.7b01391
A community-driven paired data platform to accelerate natural product mining by combining structural information from genomes and metabolomes
10.18174/FAIRdata2018.16286
Implementations of the chemical structural and compositional similarity metric in R and Python
10.1101/546150
Comprehensive mass spectrometry-guided phenotyping of plant specialized metabolites reveals metabolic diversity in the cosmopolitan plant family Rhamnaceae
10.1111/tpj.14292
A genetical metabolomics approach for bioprospecting plant biosynthetic gene clusters
10.1186/s13104-019-4222-3
The Metabolomics Society—Current State of the Membership and Future Directions
10.3390/metabo9050089
Deciphering complex metabolite mixtures by unsupervised and supervised substructure discovery and semi-automated annotation from MS/MS spectra
10.1039/C8FD00235E
MolNetEnhancer: enhanced molecular networks by integrating metabolome mining and annotation tools
10.1101/654459
Substantial extracellular metabolic differences found between phylogenetically closely related probiotic and pathogenic strains of Escherichia coli
10.3389/fmicb.2019.00252
Assessing specialized metabolite diversity in the cosmopolitan plant genus Euphorbia l.
10.3389/fpls.2019.00846
Molnetenhancer: Enhanced molecular networks by integrating metabolome mining and annotation tools
10.3390/metabo9070144
In Silico Optimization of Mass Spectrometry Fragmentation Strategies in Metabolomics
10.3390/metabo9100219
MIBiG 2.0: a repository for biosynthetic gene clusters of known function
10.1093/nar/gkz882
Untargeted mass spectrometry-based metabolomics approach unveils molecular changes in raw and processed foods and beverages
10.1016/j.foodchem.2019.125290
The Natural Products Atlas: An Open Access Knowledge Base for Microbial Natural Products Discovery
10.1021/acscentsci.9b00806
Mass spectrometry searches using MASST
10.1038/s41587-019-0375-9
Assessing specialized metabolite diversity of Alnus species by a digitized LC–MS/MS data analysis workflow
10.1016/j.phytochem.2020.112292
Microbiome-derived carnitine mimics as previously unknown mediators of gut-brain axis communication
10.1126/sciadv.aax6328
Chemically-informed Analyses of Metabolomics Mass Spectrometry Data with Qemistree
10.1101/2020.05.04.077636
Linking genomics and metabolomics to chart specialized metabolic diversity
10.1039/D0CS00162G
Reproducible molecular networking of untargeted mass spectrometry data using GNPS
10.1038/s41596-020-0317-5
Decomposing metabolite set activity levels with PALS
10.1101/2020.06.07.138974
Ranking microbial metabolomic and genomic links in the NPLinker framework using complementary scoring functions
10.1101/2020.06.12.148205
Phenylpropane as an Alternative Dearomatizing Unit of Indoles: Discovery of Inaequalisines A and B Using Substructure-Informed Molecular Networking
10.1021/acs.orglett.0c02153
matchms - processing and similarity evaluation of mass spectrometry data
10.1101/2020.08.06.239244
Spec2Vec: Improved mass spectral similarity scoring through learning of structural relationships
10.1101/2020.08.11.245928
BiG-SLiCE: A Highly Scalable Tool Maps the Diversity of 1.2 Million Biosynthetic Gene Clusters
10.1101/2020.08.17.240838
matchms - processing and similarity evaluation of mass spectrometry data.
10.21105/joss.02411
ReDU: a framework to find and reanalyze public mass spectrometry data
10.1038/s41592-020-0916-7
Feature-based molecular networking in the GNPS analysis environment
10.1038/s41592-020-0933-6
Rapid Development of Improved Data-dependent Acquisition Strategies
10.1101/2020.09.11.293092
Chemically informed analyses of metabolomics mass spectrometry data with Qemistree
10.1038/s41589-020-00677-3
Auto-deconvolution and molecular networking of gas chromatography–mass spectrometry data
10.1038/s41587-020-0700-3
The ant fungus garden acts as an external digestive system
10.1101/2020.11.18.389361
BiG-MAP: an automated pipeline to profile metabolic gene cluster abundance and expression in microbiomes
10.1101/2020.12.14.422671
BiG-SLiCE: A highly scalable tool maps the diversity of 1.2 million biosynthetic gene clusters
10.1093/gigascience/giaa154
Veterinary trypanocidal benzoxaboroles are peptidase-activated prodrugs
10.1371/journal.ppat.1008932
Comparative Metabologenomics Analysis of Polar Actinomycetes
10.3390/md19020103
Ranking Metabolite Sets by Their Activity Levels
10.3390/metabo11020103
Spec2Vec: Improved mass spectral similarity scoring through learning of structural relationships
10.1371/journal.pcbi.1008724
Rapid Development of Improved Data-Dependent Acquisition Strategies
10.1021/acs.analchem.0c03895
MS2DeepScore - a novel deep learning similarity measure for mass fragmentation spectrum comparisons
10.1101/2021.04.18.440324
Ranking microbial metabolomic and genomic links in the NPLinker framework using complementary scoring functions
10.1371/journal.pcbi.1008920
Metabolomics-Guided Elucidation of Plant Abiotic Stress Responses in the 4IR Era: An Overview
10.3390/metabo11070445
Chemical Gradients of Plant Substrates in an Atta texana Fungus Garden
10.1128/mSystems.00601-21
Comprehensive Large-Scale Integrative Analysis of Omics Data To Accelerate Specialized Metabolite Discovery
10.1128/mSystems.00726-21
