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CHEBI:224468 - Penixylarin A

ChEBI IDCHEBI:224468
ChEBI NamePenixylarin A
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SubmitterMetaboLights
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FormulaC33H50O6
Net Charge0
Average Mass542.757
Monoisotopic Mass542.36074
SMILESCCCCC[C@H](O)CCCCCCCCCCCc1cc(O)cc(O)c1Cc1c(O)c(C)cc(C(C)=O)c1O
InChIInChI=1S/C33H50O6/c1-4-5-13-17-26(35)18-15-12-10-8-6-7-9-11-14-16-25-20-27(36)21-31(37)29(25)22-30-32(38)23(2)19-28(24(3)34)33(30)39/h19-21,26,35-39H,4-18,22H2,1-3H3/t26-/m0/s1
InChIKeyQMTKCHXTRKKCGW-SANMLTNESA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (31265288)
ChEBI Ontology
Outgoing Relation(s)
Penixylarin A (CHEBI:224468) is a diarylmethane (CHEBI:51614)
IUPAC Name 
1-[3-[[2,4-dihydroxy-6-[(12S)-12-hydroxyheptadecyl]phenyl]methyl]-2,4-dihydroxy-5-methylphenyl]ethanone
Manual XrefsDatabases
77001598ChemSpider