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CHEBI:182742 - (5S,9R)-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid

ChEBI IDCHEBI:182742
ChEBI Name(5S,9R)-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid
Stars
Last Modified21 February 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILESC[C@]12CCC[C@](C)(C(=O)O)C1CCC13C=C(CO)C(CCC12)C3
InChIInChI=1S/C20H30O3/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/h11,13,15-16,21H,3-10,12H2,1-2H3,(H,22,23)/t13?,15?,16?,18-,19-,20?/m0/s1
InChIKeyXEQHVCXFKPCQNM-DPARUAOCSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
(5S,9R)-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid (CHEBI:182742) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name 
(5S,9R)-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid
Synonym  Source
(5xi,9xi)-17-Hydroxykaur-15-en-19-oic acidChEBI
Manual XrefsDatabases
22913082ChemSpider