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CHEBI:172611 - Annoglabasin F

ChEBI IDCHEBI:172611
ChEBI NameAnnoglabasin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O5
Net Charge0
Average Mass378.509
Monoisotopic Mass378.24062
SMILES[H][C@@]12CC[C@]3([H])[C@@](CC[C@@]4([H])[C@@]3(C)CCC[C@@]4(C)O)(C1)C[C@]2(OC(C)=O)C(=O)OC
InChIInChI=1S/C22H34O5/c1-14(23)27-22(18(24)26-4)13-21-11-8-16-19(2,9-5-10-20(16,3)25)17(21)7-6-15(22)12-21/h15-17,25H,5-13H2,1-4H3/t15-,16+,17+,19-,20-,21+,22-/m1/s1
InChIKeyXLXLWRGGUYSHOH-WBUFBUKVSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Annoglabasin F (CHEBI:172611) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name 
methyl (1S,4S,5R,9S,10R,13R,14R)-14-acetyloxy-5-hydroxy-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylate
Manual XrefsDatabases
8961235ChemSpider