EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:170102 - ent-8(17),13(16),14-Labdatrien-18-oic acid

ChEBI IDCHEBI:170102
ChEBI Nameent-8(17),13(16),14-Labdatrien-18-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O2
Net Charge0
Average Mass302.458
Monoisotopic Mass302.22458
SMILESC=CC(=C)CCC1C(=C)CCC2C(C)(C(=O)O)CCCC12C
InChIInChI=1S/C20H30O2/c1-6-14(2)8-10-16-15(3)9-11-17-19(16,4)12-7-13-20(17,5)18(21)22/h6,16-17H,1-3,7-13H2,4-5H3,(H,21,22)
InChIKeyJEGUVXRNDRXUDN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
ent-8(17),13(16),14-Labdatrien-18-oic acid (CHEBI:170102) is a diterpenoid (CHEBI:23849)
IUPAC Name 
1,4a-dimethyl-6-methylidene-5-(3-methylidenepent-4-enyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Manual XrefsDatabases
HMDB0039486HMDB
35014809ChemSpider