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CHEBI:187512 - Vitexin 2''-O-(2'''-methylbutyryl)

ChEBI IDCHEBI:187512
ChEBI NameVitexin 2''-O-(2'''-methylbutyryl)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28O11
Net Charge0
Average Mass516.499
Monoisotopic Mass516.16316
SMILES[H][C@@]1(c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)OC(CO)[C@@H](O)[C@H](O)C1OC(=O)C(C)CC
InChIInChI=1S/C26H28O11/c1-3-11(2)26(34)37-25-22(33)21(32)18(10-27)36-24(25)20-15(30)8-14(29)19-16(31)9-17(35-23(19)20)12-4-6-13(28)7-5-12/h4-9,11,18,21-22,24-25,27-30,32-33H,3,10H2,1-2H3/t11?,18?,21-,22+,24+,25?/m1/s1
InChIKeyWEAUPFXXCUHVAE-YMMZBZNYSA-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-(2'''-methylbutyryl) (CHEBI:187512) is a C-glycosyl compound (CHEBI:20857)
Vitexin 2''-O-(2'''-methylbutyryl) (CHEBI:187512) is a flavonoids (CHEBI:72544)
IUPAC Name 
[(2S,4S,5S)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2-methylbutanoate
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24843330ChemSpider
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