CHEBI:225024 - 10-Oxo-dihydrobotrydial

ChEBI IDCHEBI:225024
ChEBI Name10-Oxo-dihydrobotrydial
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26O5
Net Charge0
Average Mass310.390
Monoisotopic Mass310.17802
SMILESCC(=O)O[C@H]1C[C@@H](C)[C@@H]2C(=O)OC[C@@]3(C)CC(C)(C)[C@H]1[C@]23O
InChIInChI=1S/C17H26O5/c1-9-6-11(22-10(2)18)13-15(3,4)7-16(5)8-21-14(19)12(9)17(13,16)20/h9,11-13,20H,6-8H2,1-5H3/t9-,11+,12-,13+,16-,17-/m1/s1
InChIKeyMFOUCDNLAFNKML-SVLWDWOGSA-N
Species of MetaboliteComponentSourceComments
Botrytis cinerea (ncbitaxon:40559) - DOI (10.1016/0031-9422(94)00690-u)
ChEBI Ontology
Outgoing Relation(s)
10-Oxo-dihydrobotrydial (CHEBI:225024) is a δ-lactone (CHEBI:18946)
IUPAC Name 
[(1R,4R,8S,9R,11S,12S)-12-hydroxy-2,2,4,9-tetramethyl-7-oxo-6-oxatricyclo[6.3.1.04,12]dodecan-11-yl] acetate
Manual XrefsDatabases
24698436ChemSpider