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CHEBI:226265 - Cohaerin H

ChEBI IDCHEBI:226265
ChEBI NameCohaerin H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O6
Net Charge0
Average Mass464.558
Monoisotopic Mass464.21989
SMILESCCCCCC[C@H](C)C(=O)[C@H]1C(=O)O[C@@]2(C)C(=O)C=C3C=C(c4c(C)cccc4O)OC=C3[C@H]12
InChIInChI=1S/C28H32O6/c1-5-6-7-8-10-17(3)26(31)24-25-19-15-33-21(23-16(2)11-9-12-20(23)29)13-18(19)14-22(30)28(25,4)34-27(24)32/h9,11-15,17,24-25,29H,5-8,10H2,1-4H3/t17-,24-,25+,28-/m0/s1
InChIKeyXEFSOHOLRMCPDH-DTDDYTNFSA-N
Species of MetaboliteComponentSourceComments
Annulohypoxylon cohaerens (ncbitaxon:326618) - PubMed (23969107)
ChEBI Ontology
Outgoing Relation(s)
Cohaerin H (CHEBI:226265) is a hydroxytoluene (CHEBI:24751)
IUPAC Name 
(6aR,9S,9aS)-3-(2-hydroxy-6-methylphenyl)-6a-methyl-9-[(2S)-2-methyloctanoyl]-9,9a-dihydrouro[2,3-h]isochromene-6,8-dione
Manual XrefsDatabases
78443406ChemSpider