CHEBI:189738 - formononetin 7-glucuronide

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 formononetin 7-glucuronide
ChEBI ID CHEBI:189738
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H20O10
Net Charge 0
Average Mass 444.392
Monoisotopic Mass 444.10565
InChI InChI=1S/C22H20O10/c1-29-11-4-2-10(3-5-11)15-9-14(23)13-7-6-12(8-16(13)31-15)30-22-19(26)17(24)18(25)20(32-22)21(27)28/h2-9,17-20,22,24-26H,1H3,(H,27,28)/t17-,18-,19+,20-,22+/m0/s1
InChIKey KDULJPKZESDTFK-SXFAUFNYSA-N
SMILES O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=3OC(=CC(=O)C3C=C2)C4=CC=C(OC)C=C4)C(O)=O
ChEBI Ontology
Outgoing formononetin 7-glucuronide (CHEBI:189738) is a flavonoids (CHEBI:72544)
formononetin 7-glucuronide (CHEBI:189738) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid