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CHEBI:204130 - Cochliodone E

ChEBI IDCHEBI:204130
ChEBI NameCochliodone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H38O12
Net Charge0
Average Mass638.666
Monoisotopic Mass638.23633
SMILESCC(=O)O[C@@]1(C)C(=O)C2=COC(CCCC(C)O)=CC2=C(C2=C3C=C(CCCC(C)O)OC=C3C(=O)[C@@](C)(OC(C)=O)C2=O)C1=O
InChIInChI=1S/C34H38O12/c1-17(35)9-7-11-21-13-23-25(15-43-21)29(39)33(5,45-19(3)37)31(41)27(23)28-24-14-22(12-8-10-18(2)36)44-16-26(24)30(40)34(6,32(28)42)46-20(4)38/h13-18,35-36H,7-12H2,1-6H3/t17?,18?,33-,34+
InChIKeyPIKQMSVVQRQPKQ-VJWKRCAKSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - DOI (10.1016/j.phytol.2016.05.003)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
Cochliodone E (CHEBI:204130) is a azaphilone (CHEBI:50941)
IUPAC Name 
[(7S)-5-[(7R)-7-acetyloxy-3-(4-hydroxypentyl)-7-methyl-6,8-dioxoisochromen-5-yl]-3-(4-hydroxypentyl)-7-methyl-6,8-dioxoisochromen-7-yl] acetate
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78442304ChemSpider