EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:191978 - Quercetin 7-glucuronide 3-rhamnoside

ChEBI IDCHEBI:191978
ChEBI NameQuercetin 7-glucuronide 3-rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28O17
Net Charge0
Average Mass624.504
Monoisotopic Mass624.13265
SMILESCC1OC(Oc2c(-c3ccc(O)c(O)c3)oc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc(O)c3c2=O)C(O)C(O)C1O
InChIInChI=1S/C27H28O17/c1-7-15(31)17(33)20(36)26(40-7)43-23-16(32)14-12(30)5-9(41-27-21(37)18(34)19(35)24(44-27)25(38)39)6-13(14)42-22(23)8-2-3-10(28)11(29)4-8/h2-7,15,17-21,24,26-31,33-37H,1H3,(H,38,39)
InChIKeyWKPJKGBJWOCOIM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
Quercetin 7-glucuronide 3-rhamnoside (CHEBI:191978) is a flavonoids (CHEBI:72544)
Quercetin 7-glucuronide 3-rhamnoside (CHEBI:191978) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0036264HMDB