EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:141142 - ent-12-oxo-kaura-9(11),16-dien-18-oic acid

ChEBI IDCHEBI:141142
ChEBI Nameent-12-oxo-kaura-9(11),16-dien-18-oic acid
Stars
ASCII Nameent-12-oxo-kaura-9(11),16-dien-18-oic acid
Last Modified25 June 2018
Submittermwilliams
DownloadsMolfile
FormulaC20H26O3
Net Charge0
Average Mass314.425
Monoisotopic Mass314.18819
SMILES[H][C@]12CC[C@@]34CC(=C)[C@@H](C3)C(=O)C=C4[C@]1(C)CCC[C@@]2(C)C(=O)O
InChIInChI=1S/C20H26O3/c1-12-10-20-8-5-15-18(2,6-4-7-19(15,3)17(22)23)16(20)9-14(21)13(12)11-20/h9,13,15H,1,4-8,10-11H2,2-3H3,(H,22,23)/t13-,15+,18-,19-,20-/m1/s1
InChIKeyZIWVZWGUPHJFMN-QJBFWZJNSA-N
ChEBI Ontology
Outgoing Relation(s)
ent-12-oxo-kaura-9(11),16-dien-18-oic acid (CHEBI:141142) is a tricyclic diterpenoid (CHEBI:79084)