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CHEBI:184755 - Kaempferol 3-(2'',3''-diacetylrhamnoside)-7-rhamnoside

ChEBI IDCHEBI:184755
ChEBI NameKaempferol 3-(2'',3''-diacetylrhamnoside)-7-rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H34O16
Net Charge0
Average Mass662.597
Monoisotopic Mass662.18469
SMILESCC(=O)OC1[C@@H](O)C(C)O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O[C@@H]4OC(C)[C@H](O)C(O)[C@@H]4O)cc(O)c3c2=O)[C@H]1OC(C)=O
InChIInChI=1S/C31H34O16/c1-11-21(36)24(39)25(40)30(41-11)45-17-9-18(35)20-19(10-17)46-26(15-5-7-16(34)8-6-15)28(23(20)38)47-31-29(44-14(4)33)27(43-13(3)32)22(37)12(2)42-31/h5-12,21-22,24-25,27,29-31,34-37,39-40H,1-4H3/t11?,12?,21-,22-,24?,25-,27?,29-,30-,31-/m0/s1
InChIKeyFRCCTBPYYAMKIB-PVVPWINYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Kaempferol 3-(2'',3''-diacetylrhamnoside)-7-rhamnoside (CHEBI:184755) is a flavonoids (CHEBI:72544)
Kaempferol 3-(2'',3''-diacetylrhamnoside)-7-rhamnoside (CHEBI:184755) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2S,3S,5S)-3-acetyloxy-5-hydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-7-[(2S,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-3-yl]oxy-6-methyloxan-4-yl] acetate
Manual XrefsDatabases
24844700ChemSpider
LMPK12111958LIPID MAPS