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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Vitexin 2''-O-(2'''-methylbutyryl)
ChEBI ID CHEBI:187512
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H28O11
Net Charge 0
Average Mass 516.499
Monoisotopic Mass 516.16316
InChI InChI=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
InChIKey WEAUPFXXCUHVAE-YMMZBZNYSA-N
SMILES O1[C@](C(OC(=O)C(CC)C)[C@@H](O)[C@H](O)C1CO)(C=2C=3OC(=CC(=O)C3C(O)=CC2O)C4=CC=C(O)C=C4)[H]
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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
Manual Xrefs Databases
24843330 ChemSpider
LMPK12110276 LIPID MAPS
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