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CHEBI:225802 - Trichocladinol A

ChEBI IDCHEBI:225802
ChEBI NameTrichocladinol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H18O5
Net Charge0
Average Mass254.282
Monoisotopic Mass254.11542
SMILESCC(=O)OC[C@@]12C(O)[C@@]3(C)O[C@@H]1[C@@H](C=C[C@@H]2C)O3
InChIInChI=1S/C13H18O5/c1-7-4-5-9-10-13(7,6-16-8(2)14)11(15)12(3,17-9)18-10/h4-5,7,9-11,15H,6H2,1-3H3/t7-,9+,10+,11?,12+,13-/m0/s1
InChIKeyOORYNKYVIJUTKH-GURNUUQQSA-N
Species of MetaboliteComponentSourceComments
Pleotrichocladium opacum (ncbitaxon:2016671) - DOI (10.1002/ejoc.200900735)
ChEBI Ontology
Outgoing Relation(s)
Trichocladinol A (CHEBI:225802) is a ketal (CHEBI:59777)
IUPAC Name 
[(1R,3R,6S,7S,8S)-10-hydroxy-1,6-dimethyl-2,9-dioxatricyclo[5.2.1.03,8]dec-4-en-7-yl]methyl acetate
Manual XrefsDatabases
78438323ChemSpider