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CHEBI:182445 - 3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10(3H)-one, octahydro-3,6,9-trimethyl-, (3R,5aS,6R,8aS,9R,12S,12aR)-

ChEBI IDCHEBI:182445
ChEBI Name3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10(3H)-one, octahydro-3,6,9-trimethyl-, (3R,5aS,6R,8aS,9R,12S,12aR)-
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O5
Net Charge0
Average Mass282.336
Monoisotopic Mass282.14672
SMILESC[C@@H]1CCC2[C@@H](C)C(=O)OC3O[C@@]4(C)CCC1[C@]32OO4
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-/m1/s1
InChIKeyBLUAFEHZUWYNDE-DFFGHCKCSA-N
ChEBI Ontology
Outgoing Relation(s)
3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10(3H)-one, octahydro-3,6,9-trimethyl-, (3R,5aS,6R,8aS,9R,12S,12aR)- (CHEBI:182445) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(1R,5R,9R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one
Manual XrefsDatabases
C09538KEGG COMPOUND
D02481KEGG DRUG
LMPR01030025LIPID MAPS
62060ChemSpider