CHEBI:180155 - 3',4'-Dihydroxy-7-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 3',4'-Dihydroxy-7-methoxyflavan
ChEBI ID CHEBI:180155
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/c1-19-12-5-2-10-4-7-15(20-16(10)9-12)11-3-6-13(17)14(18)8-11/h2-3,5-6,8-9,15,17-18H,4,7H2,1H3/t15-/m0/s1
InChIKey RFPAIRSYRWTZLD-HNNXBMFYSA-N
SMILES O1[C@@H](CCC2=C1C=C(OC)C=C2)C3=CC(O)=C(O)C=C3
ChEBI Ontology
Outgoing 3',4'-Dihydroxy-7-methoxyflavan (CHEBI:180155) is a ether (CHEBI:25698)
3',4'-Dihydroxy-7-methoxyflavan (CHEBI:180155) is a flavonoids (CHEBI:72544)
IUPAC Name
4-[(2S)-7-methoxy-3,4-dihydro-2H-chromen-2-yl]benzene-1,2-diol
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