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CHEBI:201017 - 10-dehydroxy dihydrobotrydialone

ChEBI IDCHEBI:201017
ChEBI Name10-dehydroxy dihydrobotrydialone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26O5
Net Charge0
Average Mass310.390
Monoisotopic Mass310.17802
SMILESCC(=O)O[C@H]1C[C@@H](C)[C@@H]2COC(=O)[C@@]3(C)CC(C)(C)[C@H]1[C@]23O
InChIInChI=1S/C17H26O5/c1-9-6-12(22-10(2)18)13-15(3,4)8-16(5)14(19)21-7-11(9)17(13,16)20/h9,11-13,20H,6-8H2,1-5H3/t9-,11+,12+,13+,16-,17-/m1/s1
InChIKeyMBHVNAKPTPFWNG-MYFMSEKESA-N
Species of MetaboliteComponentSourceComments
Botrytis cinerea (ncbitaxon:40559) - DOI (10.1016/0031-9422(95)00643-5)
ChEBI Ontology
Outgoing Relation(s)
10-dehydroxy dihydrobotrydialone (CHEBI:201017) is a δ-lactone (CHEBI:18946)
IUPAC Name 
[(1R,4S,8R,9R,11S,12R)-12-hydroxy-2,2,4,9-tetramethyl-5-oxo-6-oxatricyclo[6.3.1.04,12]dodecan-11-yl] acetate
Manual XrefsDatabases
9027748ChemSpider