CHEBI:175069 - 7-Hydroxy-2',3',4'-trimethoxyisoflavan

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 7-Hydroxy-2',3',4'-trimethoxyisoflavan
ChEBI ID CHEBI:175069
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/c1-20-15-7-6-14(17(21-2)18(15)22-3)12-8-11-4-5-13(19)9-16(11)23-10-12/h4-7,9,12,19H,8,10H2,1-3H3
InChIKey NAIULWLSYSLHJW-UHFFFAOYSA-N
SMILES O1CC(CC2=C1C=C(O)C=C2)C3=C(OC)C(OC)=C(OC)C=C3
ChEBI Ontology
Outgoing 7-Hydroxy-2',3',4'-trimethoxyisoflavan (CHEBI:175069) is a ether (CHEBI:25698)
7-Hydroxy-2',3',4'-trimethoxyisoflavan (CHEBI:175069) is a flavonoids (CHEBI:72544)
IUPAC Name
3-(2,3,4-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Manual Xrefs Databases
28682031 ChemSpider
HMDB0039510 HMDB
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