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CHEBI:210343 - S-15183a

ChEBI IDCHEBI:210343
ChEBI NameS-15183a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O5
Net Charge0
Average Mass416.558
Monoisotopic Mass416.25627
SMILESCCCCCCCC(=O)O[C@@]1(C)C(=O)C=C2C=C(CCCCCCC)OC=C2C1=O
InChIInChI=1S/C25H36O5/c1-4-6-8-10-12-14-20-16-19-17-22(26)25(3,24(28)21(19)18-29-20)30-23(27)15-13-11-9-7-5-2/h16-18H,4-15H2,1-3H3/t25-/m0/s1
InChIKeyYMXPNDJGGNEMOH-VWLOTQADSA-N
Species of MetaboliteComponentSourceComments
Zopfiella (ncbitaxon:252180) - PubMed (11480884)
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)
S-15183a (CHEBI:210343) is a azaphilone (CHEBI:50941)
IUPAC Name 
(3-heptyl-7-methyl-6,8-dioxoisochromen-7-yl) octanoate
Manual XrefsDatabases
8107370ChemSpider