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CHEBI:203994 - Cohaerin E

ChEBI IDCHEBI:203994
ChEBI NameCohaerin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H30O6
Net Charge0
Average Mass462.542
Monoisotopic Mass462.20424
SMILESCCCCCCC(C)C(=O)C1=C2C3=COC(c4c(C)cccc4O)=CC3=CC(=O)[C@]2(C)OC1=O
InChIInChI=1S/C28H30O6/c1-5-6-7-8-10-17(3)26(31)24-25-19-15-33-21(23-16(2)11-9-12-20(23)29)13-18(19)14-22(30)28(25,4)34-27(24)32/h9,11-15,17,29H,5-8,10H2,1-4H3/t17?,28-/m0/s1
InChIKeyBNPNEDGQFYVZTE-SNCIIYAQSA-N
Species of MetaboliteComponentSourceComments
Annulohypoxylon cohaerens (ncbitaxon:326618) - DOI (10.1016/j.tet.2006.04.040)
ChEBI Ontology
Outgoing Relation(s)
Cohaerin E (CHEBI:203994) is a polyketide (CHEBI:26188)
IUPAC Name 
(6aR)-3-(2-hydroxy-6-methylphenyl)-6a-methyl-9-(2-methyloctanoyl)uro[2,3-h]isochromene-6,8-dione
Manual XrefsDatabases
9794329ChemSpider