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CHEBI:173209 - Annosquamosin B

ChEBI IDCHEBI:173209
ChEBI NameAnnosquamosin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H32O3
Net Charge0
Average Mass308.462
Monoisotopic Mass308.23514
SMILES[H][C@@]12CC[C@]3([H])[C@@](CC[C@@]4([H])[C@@]3(C)CCC[C@@]4(C)O)(C1)C[C@@]2(O)CO
InChIInChI=1S/C19H32O3/c1-16-7-3-8-17(2,21)14(16)6-9-18-10-13(4-5-15(16)18)19(22,11-18)12-20/h13-15,20-22H,3-12H2,1-2H3/t13-,14+,15+,16-,17-,18+,19-/m1/s1
InChIKeyNICDFCNOCPZHTJ-IVBNJOGPSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) feces (BTO:0000440) MetaboLights (MTBLS2721)
ChEBI Ontology
Outgoing Relation(s)
Annosquamosin B (CHEBI:173209) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name 
(1S,4S,5R,9S,10R,13R,14S)-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5,14-diol
Manual XrefsDatabases
8694300ChemSpider