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CHEBI:212661 - Dihydrobotrydialone

ChEBI IDCHEBI:212661
ChEBI NameDihydrobotrydialone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26O6
Net Charge0
Average Mass326.389
Monoisotopic Mass326.17294
SMILESCC(=O)O[C@H]1C[C@@H](C)[C@@H]2[C@@H](O)OC(=O)[C@@]3(C)CC(C)(C)[C@H]1[C@]23O
InChIInChI=1S/C17H26O6/c1-8-6-10(22-9(2)18)12-15(3,4)7-16(5)14(20)23-13(19)11(8)17(12,16)21/h8,10-13,19,21H,6-7H2,1-5H3/t8-,10+,11-,12+,13+,16-,17-/m1/s1
InChIKeyJKAYIDYCQPINOJ-DQVRROIYSA-N
Species of MetaboliteComponentSourceComments
Botrytis cinerea (ncbitaxon:40559) - PubMed (10691704)
ChEBI Ontology
Outgoing Relation(s)
Dihydrobotrydialone (CHEBI:212661) is a δ-lactone (CHEBI:18946)
IUPAC Name 
[(1R,4S,7S,8S,9R,11S,12S)-7,12-dihydroxy-2,2,4,9-tetramethyl-5-oxo-6-oxatricyclo[6.3.1.04,12]dodecan-11-yl] acetate
Manual XrefsDatabases
8933817ChemSpider