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CHEBI:210440 - Cohaerin K

ChEBI IDCHEBI:210440
ChEBI NameCohaerin K
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O5
Net Charge0
Average Mass438.564
Monoisotopic Mass438.24062
SMILESCCCCCC[C@H](C)C(=O)C[C@H]1C2=COC(c3c(C)cccc3O)=CC2=CC(=O)[C@]1(C)O
InChIInChI=1S/C27H34O5/c1-5-6-7-8-10-17(2)23(29)15-21-20-16-32-24(26-18(3)11-9-12-22(26)28)13-19(20)14-25(30)27(21,4)31/h9,11-14,16-17,21,28,31H,5-8,10,15H2,1-4H3/t17-,21-,27+/m0/s1
InChIKeyBYXAPCXRCDLMIZ-SJQPRBQBSA-N
Species of MetaboliteComponentSourceComments
Annulohypoxylon cohaerens (ncbitaxon:326618) - PubMed (23969107)
ChEBI Ontology
Outgoing Relation(s)
Cohaerin K (CHEBI:210440) is a hydroxytoluene (CHEBI:24751)
IUPAC Name 
(7R,8S)-7-hydroxy-3-(2-hydroxy-6-methylphenyl)-7-methyl-8-[(3S)-3-methyl-2-oxononyl]-8H-isochromen-6-one
Manual XrefsDatabases
78443428ChemSpider