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CHEBI:170111 - Junicedral

ChEBI IDCHEBI:170111
ChEBI NameJunicedral
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O2
Net Charge0
Average Mass304.474
Monoisotopic Mass304.24023
SMILESC=C1CCC2C(C)(C=O)CCCC2(C)C1CCC(C)CC=O
InChIInChI=1S/C20H32O2/c1-15(10-13-21)6-8-17-16(2)7-9-18-19(3,14-22)11-5-12-20(17,18)4/h13-15,17-18H,2,5-12H2,1,3-4H3
InChIKeyIGGYEFVJKTZVIB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
Junicedral (CHEBI:170111) is a diterpenoid (CHEBI:23849)
IUPAC Name 
1,4a-dimethyl-6-methylidene-5-(3-methyl-5-oxopentyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carbaldehyde
Manual XrefsDatabases
HMDB0036830HMDB
35014264ChemSpider