CHEBI:203696 - Tropolactone A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Tropolactone A
ChEBI ID CHEBI:203696
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H34O7
Net Charge 0
Average Mass 458.551
Monoisotopic Mass 458.23045
InChI InChI=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
InChIKey WNUMYPZZQQLDBA-LDWMDBKYSA-N
SMILES O=C1C(=C(C=C2C(=C1C)O[C@@]3([C@H]([C@]4([C@H](O)CC(=O)OC([C@@H]4CC3)(C)C)C)C2)C)C)C(=O)OC
Metabolite of Species Details
Aspergillusspecies (NCBI:txid5065) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
10481558 ChemSpider
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