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CHEBI:226279 - Cohaerin A

ChEBI IDCHEBI:226279
ChEBI NameCohaerin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28O6
Net Charge0
Average Mass436.504
Monoisotopic Mass436.18859
SMILESCCCCC/C=C(\C)C(=O)O[C@@]1(C)C(=O)C=C2C=C(c3c(C)cccc3O)OC=C2C1=O
InChIInChI=1S/C26H28O6/c1-5-6-7-8-10-17(3)25(30)32-26(4)22(28)14-18-13-21(31-15-19(18)24(26)29)23-16(2)11-9-12-20(23)27/h9-15,27H,5-8H2,1-4H3/b17-10+/t26-/m0/s1
InChIKeyWJUXIDJEIYLXTQ-NTCLMWMPSA-N
Species of MetaboliteComponentSourceComments
Annulohypoxylon cohaerens (ncbitaxon:326618) - PubMed (15797606)
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)
Cohaerin A (CHEBI:226279) is a azaphilone (CHEBI:50941)
IUPAC Name 
[(7S)-3-(2-hydroxy-6-methylphenyl)-7-methyl-6,8-dioxoisochromen-7-yl] (E)-2-methyloct-2-enoate
Manual XrefsDatabases
28282610ChemSpider