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CHEBI:220177 - Peniciaculin B

ChEBI IDCHEBI:220177
ChEBI NamePeniciaculin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O6
Net Charge0
Average Mass500.676
Monoisotopic Mass500.31379
SMILESCC(C)CCC[C@](C)(O)c1ccc(COC(=O)c2ccc([C@@](C)(O)CCCC(C)C)c(O)c2)cc1O
InChIInChI=1S/C30H44O6/c1-20(2)9-7-15-29(5,34)24-13-11-22(17-26(24)31)19-36-28(33)23-12-14-25(27(32)18-23)30(6,35)16-8-10-21(3)4/h11-14,17-18,20-21,31-32,34-35H,7-10,15-16,19H2,1-6H3/t29-,30-/m0/s1
InChIKeyKNIRNRYVMBOJSZ-KYJUHHDHSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (25763602)
ChEBI Ontology
Outgoing Relation(s)
Peniciaculin B (CHEBI:220177) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[3-hydroxy-4-[(2S)-2-hydroxy-6-methylheptan-2-yl]phenyl]methyl 3-hydroxy-4-[(2S)-2-hydroxy-6-methylheptan-2-yl]benzoate
Manual XrefsDatabases
35000217ChemSpider