EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:174849 - Annoglabasin B

ChEBI IDCHEBI:174849
ChEBI NameAnnoglabasin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O4
Net Charge0
Average Mass362.510
Monoisotopic Mass362.24571
SMILES[H][C@]12CCC3[C@](CCC4[C@](C)(COC(C)=O)CCC[C@]43C)(C[C@@H]1C(=O)O)C2
InChIInChI=1S/C22H34O4/c1-14(23)26-13-20(2)8-4-9-21(3)17(20)7-10-22-11-15(5-6-18(21)22)16(12-22)19(24)25/h15-18H,4-13H2,1-3H3,(H,24,25)/t15-,16+,17?,18?,20+,21-,22+/m1/s1
InChIKeyZKXLEDOCSSUHKY-QCYROEMPSA-N
ChEBI Ontology
Outgoing Relation(s)
Annoglabasin B (CHEBI:174849) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name 
(1S,5R,9S,13R,14S)-5-(acetyloxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylic acid
Manual XrefsDatabases
412578ChemSpider