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CHEBI:199722 - 4beta-Acetoxytetrahydrobotryslactone

ChEBI IDCHEBI:199722
ChEBI Name4beta-Acetoxytetrahydrobotryslactone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O6
Net Charge0
Average Mass366.454
Monoisotopic Mass366.20424
SMILESCC(=O)O[C@H]1C[C@@H](C)C([C@@H]2C[C@@H](O)C(=O)O2)=C2[C@@H]1C(C)(C)C[C@]2(C)CO
InChIInChI=1S/C20H30O6/c1-10-6-14(25-11(2)22)16-17(20(5,9-21)8-19(16,3)4)15(10)13-7-12(23)18(24)26-13/h10,12-14,16,21,23H,6-9H2,1-5H3/t10-,12-,13+,14+,16-,20-/m1/s1
InChIKeyRVXLTRZIAMMATE-JMTSMVSISA-N
Species of MetaboliteComponentSourceComments
Botrytis cinerea (ncbitaxon:40559) - PubMed (12444715)
ChEBI Ontology
Outgoing Relation(s)
4beta-Acetoxytetrahydrobotryslactone (CHEBI:199722) is a γ-lactone (CHEBI:37581)
IUPAC Name 
[(1S,3aS,4S,6R)-1-(hydroxymethyl)-7-[(2S,4R)-4-hydroxy-5-oxooxolan-2-yl]-1,3,3,6-tetramethyl-3a,4,5,6-tetrahydro-2H-inden-4-yl] acetate
Manual XrefsDatabases
9189198ChemSpider