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CHEBI:197626 - Cohaerin B

ChEBI IDCHEBI:197626
ChEBI NameCohaerin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O7
Net Charge0
Average Mass454.519
Monoisotopic Mass454.19915
SMILESCCCCC/C=C(\C)C(=O)O[C@@]1(C)C(=O)C=C2C=C(C3=C(C)CC(O)CC3=O)OC=C2C1=O
InChIInChI=1S/C26H30O7/c1-5-6-7-8-9-15(2)25(31)33-26(4)22(29)12-17-11-21(32-14-19(17)24(26)30)23-16(3)10-18(27)13-20(23)28/h9,11-12,14,18,27H,5-8,10,13H2,1-4H3/b15-9+/t18?,26-/m0/s1
InChIKeyGKVWLPVTYNGYQO-TZNQKNEJSA-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 B (CHEBI:197626) is a azaphilone (CHEBI:50941)
IUPAC Name 
[(7S)-3-(4-hydroxy-2-methyl-6-oxocyclohexen-1-yl)-7-methyl-6,8-dioxoisochromen-7-yl] (E)-2-methyloct-2-enoate
Manual XrefsDatabases
78436244ChemSpider