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CHEBI:215313 - Peniciaculin A

ChEBI IDCHEBI:215313
ChEBI NamePeniciaculin A
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SubmitterMetaboLights
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FormulaC29H36O5
Net Charge0
Average Mass464.602
Monoisotopic Mass464.25627
SMILESCc1cc(O)cc(Oc2cc(C)cc(OCc3ccc([C@@](C)(O)CCCC(C)C)c(O)c3)c2)c1
InChIInChI=1S/C29H36O5/c1-19(2)7-6-10-29(5,32)27-9-8-22(15-28(27)31)18-33-24-12-21(4)14-26(17-24)34-25-13-20(3)11-23(30)16-25/h8-9,11-17,19,30-32H,6-7,10,18H2,1-5H3/t29-/m0/s1
InChIKeyXSMRXZCLEOLMSC-LJAQVGFWSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (25763602)
ChEBI Ontology
Outgoing Relation(s)
Peniciaculin A (CHEBI:215313) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-[(2S)-2-hydroxy-6-methylheptan-2-yl]-5-[[3-(3-hydroxy-5-methylphenoxy)-5-methylphenoxy]methyl]phenol
Manual XrefsDatabases
35000216ChemSpider