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CHEBI:187985 - Apigenin 7-(6''-methylglucuronide)

ChEBI IDCHEBI:187985
ChEBI NameApigenin 7-(6''-methylglucuronide)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O11
Net Charge0
Average Mass460.391
Monoisotopic Mass460.10056
SMILESCOC(=O)C1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)C(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C22H20O11/c1-30-21(29)20-18(27)17(26)19(28)22(33-20)31-11-6-12(24)16-13(25)8-14(32-15(16)7-11)9-2-4-10(23)5-3-9/h2-8,17-20,22-24,26-28H,1H3/t17-,18-,19?,20?,22+/m0/s1
InChIKeyXXKIWCKZQFBXIR-PVJCQVCVSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Apigenin 7-(6''-methylglucuronide) (CHEBI:187985) is a flavonoids (CHEBI:72544)
Apigenin 7-(6''-methylglucuronide) (CHEBI:187985) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
methyl (3S,4S,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylate
Manual XrefsDatabases
24843400ChemSpider
LMPK12110346LIPID MAPS