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CHEBI:204827 - Cochliodone H

ChEBI IDCHEBI:204827
ChEBI NameCochliodone H
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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@]4(CCCC(C)O4)OC=C3C(=O)[C@@](C)(OC(C)=O)C2=O)C1=O
InChIInChI=1S/C34H38O12/c1-17(35)9-7-11-21-13-22-24(15-42-21)28(38)32(5,45-19(3)36)30(40)26(22)27-23-14-34(12-8-10-18(2)44-34)43-16-25(23)29(39)33(6,31(27)41)46-20(4)37/h13,15-18,35H,7-12,14H2,1-6H3/t17?,18?,32-,33+,34+/m0/s1
InChIKeyXZDMWRWRNQFLAS-IEPVIOOZSA-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 H (CHEBI:204827) is a azaphilone (CHEBI:50941)
IUPAC Name 
[(7R)-5-[(3S,7S)-7-acetyloxy-6',7-dimethyl-6,8-dioxospiro[4H-isochromene-3,2'-oxane]-5-yl]-3-(4-hydroxypentyl)-7-methyl-6,8-dioxoisochromen-7-yl] acetate
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78442306ChemSpider