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CHEBI:185800 - Vitexin 2''-O-rhamnoside-4'''-acetate

ChEBI IDCHEBI:185800
ChEBI NameVitexin 2''-O-rhamnoside-4'''-acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H32O15
Net Charge0
Average Mass620.560
Monoisotopic Mass620.17412
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@H](O)C1O
InChIInChI=1S/C29H32O15/c1-10-25(41-11(2)31)23(38)24(39)29(40-10)44-28-22(37)21(36)18(9-30)43-27(28)20-15(34)7-14(33)19-16(35)8-17(42-26(19)20)12-3-5-13(32)6-4-12/h3-8,10,18,21-25,27-30,32-34,36-39H,9H2,1-2H3/t10?,18?,21-,22+,23-,24?,25+,27+,28?,29+/m1/s1
InChIKeyRJQUXMJLUPJNPG-UVNLZUOFSA-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 2''-O-rhamnoside-4'''-acetate (CHEBI:185800) is a C-glycosyl compound (CHEBI:20857)
Vitexin 2''-O-rhamnoside-4'''-acetate (CHEBI:185800) is a flavonoids (CHEBI:72544)
IUPAC Name 
[(3R,4R,6S)-6-[(2S,4S,5S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] acetate
Manual XrefsDatabases
24843280ChemSpider
LMPK12110226LIPID MAPS