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CHEBI:181471 - (1R,4S,5S,8S,9S,12S,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one

ChEBI IDCHEBI:181471
ChEBI Name(1R,4S,5S,8S,9S,12S,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O5
Net Charge0
Average Mass282.336
Monoisotopic Mass282.14672
SMILES[H][C@]12OC(=O)[C@@H](C)[C@]3([H])CC[C@H](C)[C@]4([H])CC[C@@](C)(OO[C@@]134)O2
InChIInChI=1S/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3/t8-,9-,10-,11-,13+,14+,15+/m0/s1
InChIKeyBLUAFEHZUWYNDE-KNAQKBOSSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R,4S,5S,8S,9S,12S,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one (CHEBI:181471) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(1R,4S,5S,8S,9S,12S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one
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