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CHEBI:174847 - Annosquamosin A

ChEBI IDCHEBI:174847
ChEBI NameAnnosquamosin A
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FormulaC22H34O4
Net Charge0
Average Mass362.510
Monoisotopic Mass362.24571
SMILES[H][C@]12CCC3C(CCC4[C@@]3(C)CCC[C@@]4(C)C=O)(C1)C[C@@]2(O)COC(C)=O
InChIInChI=1S/C22H34O4/c1-15(24)26-14-22(25)12-21-10-7-17-19(2,13-23)8-4-9-20(17,3)18(21)6-5-16(22)11-21/h13,16-18,25H,4-12,14H2,1-3H3/t16-,17?,18?,19-,20+,21?,22+/m0/s1
InChIKeyFCHGRGOUMXZTFS-QZRFJHGNSA-N
ChEBI Ontology
Outgoing Relation(s)
Annosquamosin A (CHEBI:174847) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name 
[(5R,9S,13S,14S)-5-ormyl-14-hydroxy-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl acetate
Manual XrefsDatabases
HMDB0031137HMDB
412204ChemSpider