CHEBI:195566 - 1alpha-1-Hydroxy-2,4(18),11(13)-eudesmatrien-12-oic acid

ChEBI IDCHEBI:195566
ChEBI Name1alpha-1-Hydroxy-2,4(18),11(13)-eudesmatrien-12-oic acid
Stars
Last Modified6 September 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILESC=C(C(=O)O)C1CCC2(C)C(O)C=CC(=C)C2C1
InChIInChI=1S/C15H20O3/c1-9-4-5-13(16)15(3)7-6-11(8-12(9)15)10(2)14(17)18/h4-5,11-13,16H,1-2,6-8H2,3H3,(H,17,18)
InChIKeyGQPOONXHFROSAO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Apis mellifera (ncbitaxon:7460) ovary (BTO:0000975) MetaboLights (MTBLS7576)
ChEBI Ontology
Outgoing Relation(s)
1alpha-1-Hydroxy-2,4(18),11(13)-eudesmatrien-12-oic acid (CHEBI:195566) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
2-(5-hydroxy-4a-methyl-8-methylidene-1,2,3,4,5,8a-hexahydronaphthalen-2-yl)prop-2-enoic acid
Manual XrefsDatabases
HMDB0037557HMDB
35014430ChemSpider