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CHEBI:192032 - Kaempferol 3-(2''-rhamnosyl-6''-acetylgalactoside) 7-rhamnoside

Default Structure
ChEBI IDCHEBI:192032
ChEBI NameKaempferol 3-(2''-rhamnosyl-6''-acetylgalactoside) 7-rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H42O20
Net Charge0
Average Mass782.701
Monoisotopic Mass782.22694
SMILESCC(=O)OCC1OC(Oc2c(-c3ccc(O)cc3)oc3cc(OC4OC(C)C(O)C(O)C4O)cc(O)c3c2=O)C(OC2OC(C)C(O)C(O)C2O)C(O)C1O
InChIInChI=1S/C35H42O20/c1-11-21(39)25(43)28(46)33(49-11)51-16-8-17(38)20-18(9-16)52-30(14-4-6-15(37)7-5-14)31(24(20)42)54-35-32(27(45)23(41)19(53-35)10-48-13(3)36)55-34-29(47)26(44)22(40)12(2)50-34/h4-9,11-12,19,21-23,25-29,32-35,37-41,43-47H,10H2,1-3H3
InChIKeyPWWMGQJEFDUFKG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 3-(2''-rhamnosyl-6''-acetylgalactoside) 7-rhamnoside (CHEBI:192032) is a flavonoids (CHEBI:72544)
Kaempferol 3-(2''-rhamnosyl-6''-acetylgalactoside) 7-rhamnoside (CHEBI:192032) is a glycoside (CHEBI:24400)
IUPAC Name 
[3,4-dihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-3-yl]oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methyl acetate
Manual XrefsDatabases
HMDB0040541HMDB