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CHEBI:212310 - 7-deoxybotrylactone

ChEBI IDCHEBI:212310
ChEBI Name7-deoxybotrylactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22O4
Net Charge0
Average Mass254.326
Monoisotopic Mass254.15181
SMILESC[C@@H]1C[C@@]2(C)O[C@@](C)(C1)[C@H]1O[C@]2(C)OC(=O)[C@@H]1C
InChIInChI=1S/C14H22O4/c1-8-6-12(3)10-9(2)11(15)17-14(5,16-10)13(4,7-8)18-12/h8-10H,6-7H2,1-5H3/t8-,9+,10-,12-,13+,14+/m0/s1
InChIKeyVKWTYPKGZHWHNM-KIFSPZJUSA-N
Species of MetaboliteComponentSourceComments
Botrytis cinerea (ncbitaxon:40559) - DOI (10.1016/j.tet.2010.11.022)
ChEBI Ontology
Outgoing Relation(s)
7-deoxybotrylactone (CHEBI:212310) is a ketal (CHEBI:59777)
IUPAC Name 
(1R,2R,5R,6S,7S,9S)-1,2,5,7,9-pentamethyl-3,11,12-trioxatricyclo[5.3.1.12,6]dodecan-4-one