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CHEBI:169075 - Vitexin 2''-p-hydroxybenzoate

ChEBI IDCHEBI:169075
ChEBI NameVitexin 2''-p-hydroxybenzoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H24O12
Net Charge0
Average Mass552.488
Monoisotopic Mass552.12678
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)c1ccc(O)cc1
InChIInChI=1S/C28H24O12/c29-11-20-23(35)24(36)27(40-28(37)13-3-7-15(31)8-4-13)26(39-20)22-17(33)9-16(32)21-18(34)10-19(38-25(21)22)12-1-5-14(30)6-2-12/h1-10,20,23-24,26-27,29-33,35-36H,11H2/t20?,23-,24+,26+,27?/m1/s1
InChIKeyUTRUFHLVSJSJBC-MEWPSLRRSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Vitexin 2''-p-hydroxybenzoate (CHEBI:169075) is a C-glycosyl compound (CHEBI:20857)
Vitexin 2''-p-hydroxybenzoate (CHEBI:169075) 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] 4-hydroxybenzoate
Manual XrefsDatabases
24843279ChemSpider
LMPK12110225LIPID MAPS