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CHEBI:189739 - isorhamnetin 3-glucuronide

ChEBI IDCHEBI:189739
ChEBI Nameisorhamnetin 3-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O13
Net Charge0
Average Mass492.389
Monoisotopic Mass492.09039
SMILESCOc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
InChIInChI=1S/C22H20O13/c1-32-11-4-7(2-3-9(11)24)18-19(14(26)13-10(25)5-8(23)6-12(13)33-18)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-6,15-17,20,22-25,27-29H,1H3,(H,30,31)/t15-,16-,17+,20-,22+/m0/s1
InChIKeyVVZWHOMBDMMRSC-NTKSAMNMSA-N
ChEBI Ontology
Outgoing Relation(s)
isorhamnetin 3-glucuronide (CHEBI:189739) is a flavonoids (CHEBI:72544)
isorhamnetin 3-glucuronide (CHEBI:189739) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
4590613ChemSpider
Registry NumbersSources
CAS:36687-76-0ChemIDplus