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CHEBI:206431 - Cohaerin F

ChEBI IDCHEBI:206431
ChEBI NameCohaerin F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O6
Net Charge0
Average Mass456.579
Monoisotopic Mass456.25119
SMILESCCCCCCC(C)C(=O)C[C@@H]1C2=COC(C3=C(C)CC(O)CC3=O)=CC2=CC(=O)[C@]1(C)O
InChIInChI=1S/C27H36O6/c1-5-6-7-8-9-16(2)22(29)14-21-20-15-33-24(11-18(20)12-25(31)27(21,4)32)26-17(3)10-19(28)13-23(26)30/h11-12,15-16,19,21,28,32H,5-10,13-14H2,1-4H3/t16?,19?,21-,27-/m1/s1
InChIKeyMDZAMUBMPBLGAO-MMMYSLHOSA-N
Species of MetaboliteComponentSourceComments
Annulohypoxylon cohaerens (ncbitaxon:326618) - DOI (10.1016/j.tet.2006.04.040)
ChEBI Ontology
Outgoing Relation(s)
Cohaerin F (CHEBI:206431) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(7R,8R)-7-hydroxy-3-(4-hydroxy-2-methyl-6-oxocyclohexen-1-yl)-7-methyl-8-(3-methyl-2-oxononyl)-8H-isochromen-6-one
Manual XrefsDatabases
9865793ChemSpider