EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:209703 - Deacetyldihydrobotrydial

ChEBI IDCHEBI:209703
ChEBI NameDeacetyldihydrobotrydial
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H26O4
Net Charge0
Average Mass270.369
Monoisotopic Mass270.18311
SMILESC[C@@H]1C[C@H](O)[C@H]2C(C)(C)C[C@]3(C)CO[C@H](O)[C@@H]1[C@@]23O
InChIInChI=1S/C15H26O4/c1-8-5-9(16)11-13(2,3)6-14(4)7-19-12(17)10(8)15(11,14)18/h8-12,16-18H,5-7H2,1-4H3/t8-,9+,10-,11+,12+,14-,15-/m1/s1
InChIKeyJYJJFWOZMROYNH-LAUPGICLSA-N
Species of MetaboliteComponentSourceComments
Botrytis squamosa (ncbitaxon:139640) - DOI (10.1016/s0040-4039(00)94788-9)
ChEBI Ontology
Outgoing Relation(s)
Deacetyldihydrobotrydial (CHEBI:209703) is a oxanes (CHEBI:46942)
IUPAC Name 
(1R,4R,7S,8S,9R,11S,12S)-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.04,12]dodecane-7,11,12-triol
Manual XrefsDatabases
78437944ChemSpider