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CHEBI:214787 - Cochliodone F

ChEBI IDCHEBI:214787
ChEBI NameCochliodone F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H38O14
Net Charge0
Average Mass694.686
Monoisotopic Mass694.22616
SMILESCC(=O)O[C@@]1(C)C(=O)C2=COC(CCCC(C)OC=O)=CC2=C(C2=C3C=C(CCCC(C)OC=O)OC=C3C(=O)[C@@](C)(OC(C)=O)C2=O)C1=O
InChIInChI=1S/C36H38O14/c1-19(47-17-37)9-7-11-23-13-25-27(15-45-23)31(41)35(5,49-21(3)39)33(43)29(25)30-26-14-24(12-8-10-20(2)48-18-38)46-16-28(26)32(42)36(6,34(30)44)50-22(4)40/h13-20H,7-12H2,1-6H3/t19?,20?,35-,36+
InChIKeyYFVMPIKFZVJKTL-MIOBVOACSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - DOI (10.1016/j.phytol.2016.05.003)
ChEBI Ontology
Outgoing Relation(s)
Cochliodone F (CHEBI:214787) has functional parent tetracarboxylic acid (CHEBI:35742)
Cochliodone F (CHEBI:214787) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(7S)-5-[(7R)-7-acetyloxy-3-(4-ormyloxypentyl)-7-methyl-6,8-dioxoisochromen-5-yl]-3-(4-ormyloxypentyl)-7-methyl-6,8-dioxoisochromen-7-yl] acetate
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