CHEBI:187260 - 4-Hydroxy-5,7,4'-trimethoxyflavan

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 4-Hydroxy-5,7,4'-trimethoxyflavan
ChEBI ID CHEBI:187260
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H20O5
Net Charge 0
Average Mass 316.353
Monoisotopic Mass 316.13107
InChI InChI=1S/C18H20O5/c1-20-12-6-4-11(5-7-12)15-10-14(19)18-16(22-3)8-13(21-2)9-17(18)23-15/h4-9,14-15,19H,10H2,1-3H3
InChIKey XCMICCXLNOOUBF-UHFFFAOYSA-N
SMILES O1C(CC(O)C2=C1C=C(OC)C=C2OC)C3=CC=C(OC)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 4-Hydroxy-5,7,4'-trimethoxyflavan (CHEBI:187260) is a ether (CHEBI:25698)
4-Hydroxy-5,7,4'-trimethoxyflavan (CHEBI:187260) is a flavonoids (CHEBI:72544)
IUPAC Name
5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
Manual Xrefs Databases
508033 ChemSpider
LMPK12020173 LIPID MAPS
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