EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:183425 - (5epsilon,9epsilon,16epsilon)-17-Hydroxykauran-19-oic acid

ChEBI IDCHEBI:183425
ChEBI Name(5epsilon,9epsilon,16epsilon)-17-Hydroxykauran-19-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O3
Net Charge0
Average Mass320.473
Monoisotopic Mass320.23514
SMILESC[C@]12CCC[C@](C)(C(=O)O)C1CCC13CC(CO)C(CCC12)C3
InChIInChI=1S/C20H32O3/c1-18-7-3-8-19(2,17(22)23)15(18)6-9-20-10-13(4-5-16(18)20)14(11-20)12-21/h13-16,21H,3-12H2,1-2H3,(H,22,23)/t13?,14?,15?,16?,18-,19-,20?/m0/s1
InChIKeyHHAMKMUMKLXDFQ-KFRFNOKNSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
(5epsilon,9epsilon,16epsilon)-17-Hydroxykauran-19-oic acid (CHEBI:183425) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name 
(5S,9R)-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Manual XrefsDatabases
22913537ChemSpider