CHEBI:180154 - 7,4'-Dihydroxy-3'-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 7,4'-Dihydroxy-3'-methoxyflavan
ChEBI ID CHEBI:180154
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/c1-19-16-8-11(3-6-13(16)18)14-7-4-10-2-5-12(17)9-15(10)20-14/h2-3,5-6,8-9,14,17-18H,4,7H2,1H3/t14-/m0/s1
InChIKey GJBQOEWAEONRFS-AWEZNQCLSA-N
SMILES O1[C@@H](CCC2=C1C=C(O)C=C2)C3=CC(OC)=C(O)C=C3
ChEBI Ontology
Outgoing 7,4'-Dihydroxy-3'-methoxyflavan (CHEBI:180154) is a ether (CHEBI:25698)
7,4'-Dihydroxy-3'-methoxyflavan (CHEBI:180154) is a flavonoids (CHEBI:72544)
IUPAC Name
(2S)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
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24842643 ChemSpider
LMPK12020245 LIPID MAPS
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