CHEBI:143745 - 1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid

ChEBI IDCHEBI:143745
ChEBI Name1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC20H26O3
Net Charge0
Average Mass314.425
Monoisotopic Mass314.18819
SMILESCC(C)c1ccc2c(c1)C(=O)CC1C(C)(C(=O)O)CCCC21C
InChIInChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)
InChIKeyMSWJSDLNPCSSNW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bathymodiolus (ncbitaxon:12965) gill filament (BTO:0002150) MetaboLights (MTBLS746)
ChEBI Ontology
Outgoing Relation(s)
1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid (CHEBI:143745) is a diterpenoid (CHEBI:23849)