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CHEBI:203696 - Tropolactone A

ChEBI IDCHEBI:203696
ChEBI NameTropolactone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H34O7
Net Charge0
Average Mass458.551
Monoisotopic Mass458.23045
SMILESCOC(=O)c1c(C)cc2c(c(C)c1=O)O[C@@]1(C)CC[C@H]3C(C)(C)OC(=O)C[C@@H](O)[C@]3(C)[C@@H]1C2
InChIInChI=1S/C26H34O7/c1-13-10-15-11-17-25(5,33-22(15)14(2)21(29)20(13)23(30)31-7)9-8-16-24(3,4)32-19(28)12-18(27)26(16,17)6/h10,16-18,27H,8-9,11-12H2,1-7H3/t16-,17+,18+,25-,26-/m0/s1
InChIKeyWNUMYPZZQQLDBA-LDWMDBKYSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (16500687)
ChEBI Ontology
Outgoing Relation(s)
Tropolactone A (CHEBI:203696) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
methyl (1S,2S,3R,8R,11S)-3-hydroxy-2,7,7,11,14,17-hexamethyl-5,15-dioxo-6,12-dioxatetracyclo[9.9.0.02,8.013,19]icosa-13,16,18-triene-16-carboxylate
Manual XrefsDatabases
10481558ChemSpider