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CHEBI:185430 - Vitexin 3''',4'''-Di-O-acetyl 2''-O-rhamnoside

ChEBI IDCHEBI:185430
ChEBI NameVitexin 3''',4'''-Di-O-acetyl 2''-O-rhamnoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H34O16
Net Charge0
Average Mass662.597
Monoisotopic Mass662.18469
SMILES[H][C@@]1(c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)OC(CO)[C@@H](O)[C@H](O)C1O[C@@H]1OC(C)[C@H](OC(C)=O)C(OC(C)=O)[C@@H]1O
InChIInChI=1S/C31H34O16/c1-11-26(43-12(2)33)30(44-13(3)34)25(41)31(42-11)47-29-24(40)23(39)20(10-32)46-28(29)22-17(37)8-16(36)21-18(38)9-19(45-27(21)22)14-4-6-15(35)7-5-14/h4-9,11,20,23-26,28-32,35-37,39-41H,10H2,1-3H3/t11?,20?,23-,24+,25+,26+,28+,29?,30?,31+/m1/s1
InChIKeyYSGRAAYVNSIFGD-BNELPFLKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Vitexin 3''',4'''-Di-O-acetyl 2''-O-rhamnoside (CHEBI:185430) is a C-glycosyl compound (CHEBI:20857)
Vitexin 3''',4'''-Di-O-acetyl 2''-O-rhamnoside (CHEBI:185430) is a flavonoids (CHEBI:72544)
IUPAC Name 
[(3S,5S,6S)-4-acetyloxy-6-[(2S,4S,5S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-2-methyloxan-3-yl] acetate
Manual XrefsDatabases
24843335ChemSpider
LMPK12110281LIPID MAPS