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CHEBI:186970 - 8-C-Glucosylquercetin 2''-O-rhamnoside

ChEBI IDCHEBI:186970
ChEBI Name8-C-Glucosylquercetin 2''-O-rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O16
Net Charge0
Average Mass610.521
Monoisotopic Mass610.15338
SMILES[H][C@@]1(c2c(O)cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)OC(CO)[C@@H](O)[C@H](O)C1O[C@@H]1OC(C)[C@H](O)C(O)[C@@H]1O
InChIInChI=1S/C27H30O16/c1-7-16(33)19(36)22(39)27(40-7)43-26-20(37)17(34)13(6-28)41-25(26)15-12(32)5-11(31)14-18(35)21(38)23(42-24(14)15)8-2-3-9(29)10(30)4-8/h2-5,7,13,16-17,19-20,22,25-34,36-39H,6H2,1H3/t7?,13?,16-,17+,19?,20-,22-,25-,26?,27-/m0/s1
InChIKeyHYFIMZNIMKDHBU-JGDVBNKCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
8-C-Glucosylquercetin 2''-O-rhamnoside (CHEBI:186970) is a C-glycosyl compound (CHEBI:20857)
8-C-Glucosylquercetin 2''-O-rhamnoside (CHEBI:186970) is a flavonoids (CHEBI:72544)
IUPAC Name 
8-[(2S,4S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
Manual XrefsDatabases
LMPK12110523LIPID MAPS
24843561ChemSpider