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CHEBI:204116 - Cohaerin D

ChEBI IDCHEBI:204116
ChEBI NameCohaerin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O7
Net Charge0
Average Mass480.557
Monoisotopic Mass480.21480
SMILESCCCCCCC(C)C(=O)C1=C2C3=COC(C4=C(C)CC(O)CC4=O)=CC3=CC(=O)[C@]2(C)OC1=O
InChIInChI=1S/C28H32O7/c1-5-6-7-8-9-15(2)26(32)24-25-19-14-34-21(23-16(3)10-18(29)13-20(23)30)11-17(19)12-22(31)28(25,4)35-27(24)33/h11-12,14-15,18,29H,5-10,13H2,1-4H3/t15?,18?,28-/m0/s1
InChIKeyLFNOEQKIIMCRRH-JNTJAGMPSA-N
Species of MetaboliteComponentSourceComments
Annulohypoxylon cohaerens (ncbitaxon:326618) - DOI (10.1016/j.tet.2006.04.040)
ChEBI Ontology
Outgoing Relation(s)
Cohaerin D (CHEBI:204116) is a polyketide (CHEBI:26188)
IUPAC Name 
(6aR)-3-(4-hydroxy-2-methyl-6-oxocyclohexen-1-yl)-6a-methyl-9-(2-methyloctanoyl)uro[2,3-h]isochromene-6,8-dione
Manual XrefsDatabases
9844926ChemSpider