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CHEBI:214661 - Norbotrydialone acetate

ChEBI IDCHEBI:214661
ChEBI NameNorbotrydialone acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O4
Net Charge0
Average Mass278.348
Monoisotopic Mass278.15181
SMILESCC(=O)O[C@H]1C[C@@H](C)C2=C3[C@@H]1C(C)(C)C[C@@]3(C)OC2=O
InChIInChI=1S/C16H22O4/c1-8-6-10(19-9(2)17)12-13-11(8)14(18)20-16(13,5)7-15(12,3)4/h8,10,12H,6-7H2,1-5H3/t8-,10+,12-,16-/m1/s1
InChIKeyOMZUEHMZFLBHNI-PCKWUFTNSA-N
Species of MetaboliteComponentSourceComments
Botrytis cinerea (ncbitaxon:40559) - PubMed (12444715)
ChEBI Ontology
Outgoing Relation(s)
Norbotrydialone acetate (CHEBI:214661) is a butenolide (CHEBI:50523)
IUPAC Name 
[(4R,7S,8S,10R)-4,6,6,10-tetramethyl-2-oxo-3-oxatricyclo[5.3.1.04,11]undec-1(11)-en-8-yl] acetate
Manual XrefsDatabases
552708ChemSpider