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CHEBI:205367 - Cohaerin C

ChEBI IDCHEBI:205367
ChEBI NameCohaerin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H34O7
Net Charge0
Average Mass482.573
Monoisotopic Mass482.23045
SMILESCCCCCCC(C)C(=O)[C@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C(C4=C(C)CC(O)CC4=O)OC=C3[C@@H]12
InChIInChI=1S/C28H34O7/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/h11-12,14-15,18,24-25,29H,5-10,13H2,1-4H3/t15?,18?,24-,25-,28-/m0/s1
InChIKeyGKKNMNFXYPXAOJ-GNEHSSTKSA-N
Species of MetaboliteComponentSourceComments
Annulohypoxylon cohaerens (ncbitaxon:326618) - DOI (10.1016/j.tet.2006.04.040)
ChEBI Ontology
Outgoing Relation(s)
Cohaerin C (CHEBI:205367) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(6aR,9S,9aR)-3-(4-hydroxy-2-methyl-6-oxocyclohexen-1-yl)-6a-methyl-9-(2-methyloctanoyl)-9,9a-dihydrouro[2,3-h]isochromene-6,8-dione
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