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CHEBI:199603 - Cochliodone A

ChEBI IDCHEBI:199603
ChEBI NameCochliodone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H38O12
Net Charge0
Average Mass638.666
Monoisotopic Mass638.23633
SMILESCC(=O)O[C@@]1(C)C(=O)C2=CO[C@@]3(CCC[C@@H](C)O3)CC2=C(C2=C3C[C@]4(CCC[C@@H](C)O4)OC=C3C(=O)[C@@](C)(OC(C)=O)C2=O)C1=O
InChIInChI=1S/C34H38O12/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/h15-18H,7-14H2,1-6H3/t17-,18-,31-,32+,33-,34-/m1/s1
InChIKeyXDRDZGUQBNNXLG-SQNVWISRSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - DOI (10.1016/j.tet.2008.07.040)
ChEBI Ontology
Outgoing Relation(s)
Cochliodone A (CHEBI:199603) is a benzopyran (CHEBI:22727)
IUPAC Name 
[(3S,6'R,7R)-5-[(3S,6'R,7S)-7-acetyloxy-6',7-dimethyl-6,8-dioxospiro[4H-isochromene-3,2'-oxane]-5-yl]-6',7-dimethyl-6,8-dioxospiro[4H-isochromene-3,2'-oxane]-7-yl] acetate
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