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CHEBI:197081 - Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside

ChEBI IDCHEBI:197081
ChEBI NameKaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H38O19
Net Charge0
Average Mass726.637
Monoisotopic Mass726.20073
SMILESCC1O[C@@H](OCC2O[C@@H](Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(O)[C@@H](O)[C@H]2O)[C@@H](O)C(O[C@@H]2OC[C@@H](O)[C@H](O)C2O)[C@H]1O
InChIInChI=1S/C32H38O19/c1-10-19(37)28(50-30-24(42)20(38)15(36)8-45-30)26(44)31(47-10)46-9-17-21(39)23(41)25(43)32(49-17)51-29-22(40)18-14(35)6-13(34)7-16(18)48-27(29)11-2-4-12(33)5-3-11/h2-7,10,15,17,19-21,23-26,28,30-39,41-44H,8-9H2,1H3/t10?,15-,17?,19+,20+,21+,23+,24?,25?,26+,28?,30+,31-,32+/m1/s1
InChIKeyPHKFQMUSOLODBO-UTWWYSCBSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside (CHEBI:197081) is a flavonoids (CHEBI:72544)
Kaempferol 3-xylosyl-(1->3)-rhamnosyl-(1->6)-galactoside (CHEBI:197081) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[(2S,4S,5R)-6-[[(2R,3S,5S)-3,5-dihydroxy-6-methyl-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
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LMPK12111912LIPID MAPS
24844654ChemSpider