CHEBI:180153 - 7,3'-Dihydroxy-4'-methoxyflavan

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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 7,3'-Dihydroxy-4'-methoxyflavan
ChEBI ID CHEBI:180153
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H16O4
Net Charge 0
Average Mass 272.300
Monoisotopic Mass 272.10486
InChI InChI=1S/C16H16O4/c1-19-15-7-4-11(8-13(15)18)14-6-3-10-2-5-12(17)9-16(10)20-14/h2,4-5,7-9,14,17-18H,3,6H2,1H3
InChIKey KGTOSQKIOMIICT-UHFFFAOYSA-N
SMILES O1C(CCC2=C1C=C(O)C=C2)C3=CC(O)=C(OC)C=C3
ChEBI Ontology
Outgoing 7,3'-Dihydroxy-4'-methoxyflavan (CHEBI:180153) is a ether (CHEBI:25698)
7,3'-Dihydroxy-4'-methoxyflavan (CHEBI:180153) is a flavonoids (CHEBI:72544)
IUPAC Name
2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Manual Xref Database
9371615 ChemSpider
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