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CHEBI:170104 - 8(17),12-Labdadiene-15,16-dial

Default Structure
ChEBI IDCHEBI:170104
ChEBI Name8(17),12-Labdadiene-15,16-dial
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O2
Net Charge0
Average Mass302.458
Monoisotopic Mass302.22458
SMILESC=C1CCC2C(C)(C)CCCC2(C)C1C/C=C(/C=O)CC=O
InChIInChI=1S/C20H30O2/c1-15-6-9-18-19(2,3)11-5-12-20(18,4)17(15)8-7-16(14-22)10-13-21/h7,13-14,17-18H,1,5-6,8-12H2,2-4H3/b16-7+
InChIKeyTZCSIFOYBLPUIF-FRKPEAEDSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
8(17),12-Labdadiene-15,16-dial (CHEBI:170104) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(2E)-2-[2-(5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)ethylidene]butanedial
Manual XrefsDatabases
8080164ChemSpider
HMDB0036805HMDB