CHEBI:175070 - 5'-Hydroxy-3',4',7-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 5'-Hydroxy-3',4',7-trimethoxyflavan
ChEBI ID CHEBI:175070
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/c1-20-13-6-4-11-5-7-15(23-16(11)10-13)12-8-14(19)18(22-3)17(9-12)21-2/h4,6,8-10,15,19H,5,7H2,1-3H3
InChIKey NOBIKWFGKRXGGQ-UHFFFAOYSA-N
SMILES O1C(CCC2=C1C=C(OC)C=C2)C=3C=C(OC)C(OC)=C(O)C3
ChEBI Ontology
Outgoing 5'-Hydroxy-3',4',7-trimethoxyflavan (CHEBI:175070) is a ether (CHEBI:25698)
5'-Hydroxy-3',4',7-trimethoxyflavan (CHEBI:175070) is a flavonoids (CHEBI:72544)
IUPAC Name
2,3-dimethoxy-5-(7-methoxy-3,4-dihydro-2H-chromen-2-yl)phenol
Manual Xrefs Databases
35014958 ChemSpider
HMDB0040534 HMDB
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