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CHEBI:190088 - Quercetin 3-(2G-rhamnosylgentiobioside)

ChEBI IDCHEBI:190088
ChEBI NameQuercetin 3-(2G-rhamnosylgentiobioside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40O21
Net Charge0
Average Mass772.662
Monoisotopic Mass772.20621
SMILESCC1O[C@@H](OC2C(O)[C@H](O)C(CO[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)O[C@H]2Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)C(O)[C@H]1O
InChIInChI=1S/C33H40O21/c1-9-19(39)23(43)27(47)32(49-9)54-30-25(45)21(41)17(8-48-31-26(46)24(44)20(40)16(7-34)51-31)52-33(30)53-29-22(42)18-14(38)5-11(35)6-15(18)50-28(29)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-21,23-27,30-41,43-47H,7-8H2,1H3/t9?,16?,17?,19-,20+,21+,23?,24-,25?,26?,27-,30?,31+,32-,33-/m0/s1
InChIKeyNRTALHZHXXNSOY-IMSZNPMWSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
Quercetin 3-(2G-rhamnosylgentiobioside) (CHEBI:190088) is a flavonoids (CHEBI:72544)
Quercetin 3-(2G-rhamnosylgentiobioside) (CHEBI:190088) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-3-[(2S,5S)-4,5-dihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxychromen-4-one
Manual XrefsDatabases
24844840ChemSpider
LMPK12112114LIPID MAPS