EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:181485 - Chrysin-7-O-glucuronide

ChEBI IDCHEBI:181485
ChEBI NameChrysin-7-O-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18O10
Net Charge0
Average Mass430.365
Monoisotopic Mass430.09000
SMILESO=C(O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C21H18O10/c22-11-6-10(29-21-18(26)16(24)17(25)19(31-21)20(27)28)7-14-15(11)12(23)8-13(30-14)9-4-2-1-3-5-9/h1-8,16-19,21-22,24-26H,(H,27,28)/t16-,17-,18+,19-,21+/m0/s1
InChIKeyIDRSJGHHZXBATQ-ZFORQUDYSA-N
ChEBI Ontology
Outgoing Relation(s)
Chrysin-7-O-glucuronide (CHEBI:181485) is a flavonoids (CHEBI:72544)
Chrysin-7-O-glucuronide (CHEBI:181485) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxyoxane-2-carboxylic acid
Manual XrefsDatabases
22913378ChemSpider