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CHEBI:187756 - Pilosanol B

ChEBI IDCHEBI:187756
ChEBI NamePilosanol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H30O10
Net Charge0
Average Mass526.538
Monoisotopic Mass526.18390
SMILESCOc1c(C)c(O)c(Cc2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@@H](O)C3)c(O)c1C(=O)C(C)C
InChIInChI=1S/C28H30O10/c1-11(2)23(34)22-25(36)16(24(35)12(3)26(22)37-4)8-14-18(30)10-19(31)15-9-21(33)27(38-28(14)15)13-5-6-17(29)20(32)7-13/h5-7,10-11,21,27,29-33,35-36H,8-9H2,1-4H3/t21-,27+/m0/s1
InChIKeyKAAFBPHWBXQTAW-KDYSTLNUSA-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 B (CHEBI:187756) 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-methylpropan-1-one
Manual XrefsDatabases
LMPK12020072LIPID MAPS
24842548ChemSpider