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CHEBI:203969 - Cochliodone C

ChEBI IDCHEBI:203969
ChEBI NameCochliodone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H42O16
Net Charge0
Average Mass754.738
Monoisotopic Mass754.24729
SMILESCC(=O)O[C@@H]1C2=C(C3=C4C(=CO[C@@]5(CCC[C@H](C)O5)[C@@H]4OC(C)=O)C(=O)[C@](C)(OC(C)=O)C3=O)C(=O)[C@@](C)(OC(C)=O)C(=O)C2=CO[C@@]12CCC[C@@H](C)O2
InChIInChI=1S/C38H42O16/c1-17-11-9-13-37(51-17)33(49-19(3)39)25-23(15-47-37)29(43)35(7,53-21(5)41)31(45)27(25)28-26-24(30(44)36(8,32(28)46)54-22(6)42)16-48-38(34(26)50-20(4)40)14-10-12-18(2)52-38/h15-18,33-34H,9-14H2,1-8H3/t17-,18+,33-,34-,35+,36+,37-,38-/m1/s1
InChIKeySEPFUJHYWBHGFP-IJDTUPAPSA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - DOI (10.1016/j.tet.2008.07.040)
ChEBI Ontology
Outgoing Relation(s)
Cochliodone C (CHEBI:203969) has functional parent tetracarboxylic acid (CHEBI:35742)
Cochliodone C (CHEBI:203969) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
[(3S,4R,6'S,7R)-7-acetyloxy-5-[(3S,4R,6'R,7R)-4,7-diacetyloxy-6',7-dimethyl-6,8-dioxospiro[4H-isochromene-3,2'-oxane]-5-yl]-6',7-dimethyl-6,8-dioxospiro[4H-isochromene-3,2'-oxane]-4-yl] acetate
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