EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:177709 - 13-Hydroxykaur-16-en-18-oic acid

ChEBI IDCHEBI:177709
ChEBI Name13-Hydroxykaur-16-en-18-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILESC=C1CC23CCC4C(C)(C(=O)O)CCCC4(C)C2CCC1(O)C3
InChIInChI=1S/C20H30O3/c1-13-11-19-9-5-14-17(2,7-4-8-18(14,3)16(21)22)15(19)6-10-20(13,23)12-19/h14-15,23H,1,4-12H2,2-3H3,(H,21,22)
InChIKeyQFVOYBUQQBFCRH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
13-Hydroxykaur-16-en-18-oic acid (CHEBI:177709) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name 
13-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Manual XrefsDatabases
HMDB0036706HMDB
277096ChemSpider