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CHEBI:182283 - Tonantzitlolone A

ChEBI IDCHEBI:182283
ChEBI NameTonantzitlolone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H40O7
Net Charge0
Average Mass464.599
Monoisotopic Mass464.27740
SMILES[H][C@]12C[C@@H](C)[C@@H](OC(=O)/C=C(\C)CC)[C@](O)(O1)[C@@H](O)[C@@]1(C)CC[C@]([H])(O1)C(C)(C)/C=C/[C@H](C)C2=O
InChIInChI=1S/C26H40O7/c1-8-15(2)13-20(27)31-22-17(4)14-18-21(28)16(3)9-11-24(5,6)19-10-12-25(7,33-19)23(29)26(22,30)32-18/h9,11,13,16-19,22-23,29-30H,8,10,12,14H2,1-7H3/b11-9+,15-13+/t16-,17+,18+,19-,22+,23-,25+,26-/m0/s1
InChIKeyYMEAIOHYSIGDJY-VCOIMRFZSA-N
ChEBI Ontology
Outgoing Relation(s)
Tonantzitlolone A (CHEBI:182283) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[(1R,2S,3R,6S,8E,10S,12R,14R,15R)-1,2-dihydroxy-3,7,7,10,14-pentamethyl-11-oxo-16,17-dioxatricyclo[10.3.1.13,6]heptadec-8-en-15-yl] (E)-3-methylpent-2-enoate
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