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CHEBI:190583 - 17-Hydroxy-ent-kaur-15-en-19-oic acid

ChEBI IDCHEBI:190583
ChEBI Name17-Hydroxy-ent-kaur-15-en-19-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILES[H][C@@]12CC[C@]3([H])[C@@](C=C1CO)(CC[C@@]1([H])[C@@]3(C)CCC[C@@]1(C)C(=O)O)C2
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-LEUKZYDJSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) liver (BTO:0000759) MetaboLights (MTBLS4163)
ChEBI Ontology
Outgoing Relation(s)
17-Hydroxy-ent-kaur-15-en-19-oic acid (CHEBI:190583) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name 
(1S,4S,5R,9S,10S,13S)-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-5-carboxylic acid
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