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CHEBI:185982 - Pilosanol A

ChEBI IDCHEBI:185982
ChEBI NamePilosanol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H32O10
Net Charge0
Average Mass540.565
Monoisotopic Mass540.19955
SMILESCCC(C)C(=O)c1c(O)c(Cc2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)c(O)c(C)c1OC
InChIInChI=1S/C29H32O10/c1-5-12(2)24(35)23-26(37)17(25(36)13(3)27(23)38-4)9-15-19(31)11-20(32)16-10-22(34)28(39-29(15)16)14-6-7-18(30)21(33)8-14/h6-8,11-12,22,28,30-34,36-37H,5,9-10H2,1-4H3/t12?,22-,28+/m0/s1
InChIKeyAXODAJZSINDBPB-WAUBUFGSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Pilosanol A (CHEBI:185982) is a catechin (CHEBI:23053)
IUPAC Name 
1-[3-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]methyl]-2,4-dihydroxy-6-methoxy-5-methylphenyl]-2-methylbutan-1-one
Manual XrefsDatabases
LMPK12020071LIPID MAPS
24842547ChemSpider