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CHEBI:223243 - Cochliodone J

ChEBI IDCHEBI:223243
ChEBI NameCochliodone J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H40O12
Net Charge0
Average Mass640.682
Monoisotopic Mass640.25198
SMILESCC(=O)O[C@@]1(C)C(=O)C2=C(C[C@]3(CCC[C@@H](C)O3)OC2)C(=C2C(=O)[C@@](C)(OC(C)=O)C(=O)C3=C2C[C@]2(CCC[C@@H](C)O2)OC3)C1=O
InChIInChI=1S/C34H40O12/c1-17-9-7-11-33(43-17)13-21-23(15-41-33)27(37)31(5,45-19(3)35)29(39)25(21)26-22-14-34(12-8-10-18(2)44-34)42-16-24(22)28(38)32(6,30(26)40)46-20(4)36/h17-18H,7-16H2,1-6H3/t17-,18-,31+,32+,33-,34-/m1/s1
InChIKeyYAQIROOPLDGZNT-NNUOSGDXSA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - PubMed (32024969)
ChEBI Ontology
Outgoing Relation(s)
Cochliodone J (CHEBI:223243) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
[(3R,6'R,7R)-5-[(3R,6'R,7R)-7-acetyloxy-6',7-dimethyl-6,8-dioxospiro[1,4-dihydroisochromene-3,2'-oxane]-5-ylidene]-6',7-dimethyl-6,8-dioxospiro[1,4-dihydroisochromene-3,2'-oxane]-7-yl] acetate