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CHEBI:190033 - Quercetin 3-sophorotrioside 7-rhamnoside

ChEBI IDCHEBI:190033
ChEBI NameQuercetin 3-sophorotrioside 7-rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H50O26
Net Charge0
Average Mass934.803
Monoisotopic Mass934.25903
SMILESCC1OC(Oc2cc(O)c3c(=O)c(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)c(-c4ccc(O)c(O)c4)oc3c2)C(O)C(O)C1O
InChIInChI=1S/C39H50O26/c1-10-21(46)26(51)30(55)36(57-10)58-12-5-15(45)20-16(6-12)59-32(11-2-3-13(43)14(44)4-11)33(25(20)50)63-38-35(29(54)24(49)18(8-41)61-38)65-39-34(28(53)23(48)19(9-42)62-39)64-37-31(56)27(52)22(47)17(7-40)60-37/h2-6,10,17-19,21-24,26-31,34-49,51-56H,7-9H2,1H3
InChIKeyKVPHQBGTGFAPTB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
Quercetin 3-sophorotrioside 7-rhamnoside (CHEBI:190033) is a flavonoids (CHEBI:72544)
Quercetin 3-sophorotrioside 7-rhamnoside (CHEBI:190033) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
Manual XrefsDatabases
HMDB0040483HMDB