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CHEBI:199717 - Cohaerin G

ChEBI IDCHEBI:199717
ChEBI NameCohaerin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36O7
Net Charge0
Average Mass484.589
Monoisotopic Mass484.24610
SMILESCCCCCC[C@H](C)C(=O)[C@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C([C@@H]4C(=O)C[C@@H](O)C[C@H]4C)OC=C3[C@H]12
InChIInChI=1S/C28H36O7/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/h11-12,14-16,18,23-25,29H,5-10,13H2,1-4H3/t15-,16+,18-,23-,24-,25+,28-/m0/s1
InChIKeyUXVBLOOVEHJYRA-OQNBJDIRSA-N
Species of MetaboliteComponentSourceComments
Annulohypoxylon cohaerens (ncbitaxon:326618) - PubMed (23969107)
ChEBI Ontology
Outgoing Relation(s)
Cohaerin G (CHEBI:199717) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(6aR,9S,9aS)-3-[(1R,2R,4S)-4-hydroxy-2-methyl-6-oxocyclohexyl]-6a-methyl-9-[(2S)-2-methyloctanoyl]-9,9a-dihydrouro[2,3-h]isochromene-6,8-dione
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78443372ChemSpider