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

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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''-p-hydroxybenzoate
ChEBI ID CHEBI:169075
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H24O12
Net Charge 0
Average Mass 552.488
Monoisotopic Mass 552.12678
InChI InChI=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
InChIKey UTRUFHLVSJSJBC-MEWPSLRRSA-N
SMILES O1[C@](C(OC(=O)C2=CC=C(O)C=C2)[C@@H](O)[C@H](O)C1CO)(C=3C=4OC(=CC(=O)C4C(O)=CC3O)C5=CC=C(O)C=C5)[H]
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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
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24843279 ChemSpider
LMPK12110225 LIPID MAPS
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