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CHEBI:223960 - Tropolactone C

ChEBI IDCHEBI:223960
ChEBI NameTropolactone C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32O6
Net Charge0
Average Mass440.536
Monoisotopic Mass440.21989
SMILESCOC(=O)c1c(C)cc2c(c(C)c1=O)O[C@@]1(C)CC[C@H]3C(C)(C)OC(=O)C=C[C@]3(C)[C@@H]1C2
InChIInChI=1S/C26H32O6/c1-14-12-16-13-18-25(5)10-9-19(27)31-24(3,4)17(25)8-11-26(18,6)32-22(16)15(2)21(28)20(14)23(29)30-7/h9-10,12,17-18H,8,11,13H2,1-7H3/t17-,18-,25-,26-/m0/s1
InChIKeyIAPFNCDIAZGJJT-JZWJADFXSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (16500687)
ChEBI Ontology
Outgoing Relation(s)
Tropolactone C (CHEBI:223960) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
methyl (1S,2S,8R,11S)-2,7,7,11,14,17-hexamethyl-5,15-dioxo-6,12-dioxatetracyclo[9.9.0.02,8.013,19]icosa-3,13,16,18-tetraene-16-carboxylate
Manual XrefsDatabases
10481560ChemSpider