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CHEBI:224473 - Penixylarin B

ChEBI IDCHEBI:224473
ChEBI NamePenixylarin B
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SubmitterMetaboLights
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FormulaC33H50O9S
Net Charge0
Average Mass622.821
Monoisotopic Mass622.31755
SMILESCCCCC[C@@H](CCCCCCCCCCCc1cc(O)cc(O)c1Cc1c(O)c(C)cc(C(C)=O)c1O)OS(=O)(=O)O
InChIInChI=1S/C33H50O9S/c1-4-5-13-17-27(42-43(39,40)41)18-15-12-10-8-6-7-9-11-14-16-25-20-26(35)21-31(36)29(25)22-30-32(37)23(2)19-28(24(3)34)33(30)38/h19-21,27,35-38H,4-18,22H2,1-3H3,(H,39,40,41)/t27-/m0/s1
InChIKeyJFJNMPULPPURRE-MHZLTWQESA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (31265288)
ChEBI Ontology
Outgoing Relation(s)
Penixylarin B (CHEBI:224473) is a diarylmethane (CHEBI:51614)
IUPAC Name 
[(6S)-17-[2-[(3-acetyl-2,6-dihydroxy-5-methylphenyl)methyl]-3,5-dihydroxyphenyl]heptadecan-6-yl] hydrogen sulate
Manual XrefsDatabases
77001599ChemSpider