CHEBI:186507 - (2S)-4'-Hydroxy-5,7,3'-trimethoxyflavan

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (2S)-4'-Hydroxy-5,7,3'-trimethoxyflavan
ChEBI ID CHEBI:186507
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C18H20O5
Net Charge 0
Average Mass 316.353
Monoisotopic Mass 316.13107
InChI InChI=1S/C18H20O5/c1-20-12-9-16(21-2)13-5-7-15(23-17(13)10-12)11-4-6-14(19)18(8-11)22-3/h4,6,8-10,15,19H,5,7H2,1-3H3/t15-/m0/s1
InChIKey XFWQJKIQUYCNBC-HNNXBMFYSA-N
SMILES O1[C@@H](CCC2=C1C=C(OC)C=C2OC)C3=CC(OC)=C(O)C=C3
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing (2S)-4'-Hydroxy-5,7,3'-trimethoxyflavan (CHEBI:186507) is a ether (CHEBI:25698)
(2S)-4'-Hydroxy-5,7,3'-trimethoxyflavan (CHEBI:186507) is a flavonoids (CHEBI:72544)
IUPAC Name
4-[(2S)-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenol
Manual Xrefs Databases
8671009 ChemSpider
LMPK12020279 LIPID MAPS
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