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CHEBI:207061 - Penicilone B

ChEBI IDCHEBI:207061
ChEBI NamePenicilone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34O6
Net Charge0
Average Mass478.585
Monoisotopic Mass478.23554
SMILESCCCCCCC(C)/C=C(\C)C(=O)O[C@@]1(C)C(=O)C=C2C=C(c3c(C)cccc3O)OC=C2C1=O
InChIInChI=1S/C29H34O6/c1-6-7-8-9-11-18(2)14-20(4)28(33)35-29(5)25(31)16-21-15-24(34-17-22(21)27(29)32)26-19(3)12-10-13-23(26)30/h10,12-18,30H,6-9,11H2,1-5H3/b20-14+/t18?,29-/m0/s1
InChIKeyDJZXCCZVNHDZCQ-KKVDNXFESA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (28248508)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
Penicilone B (CHEBI:207061) is a azaphilone (CHEBI:50941)
IUPAC Name 
[(7S)-3-(2-hydroxy-6-methylphenyl)-7-methyl-6,8-dioxoisochromen-7-yl] (E)-2,4-dimethyldec-2-enoate
Manual XrefsDatabases
61708592ChemSpider