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CHEBI:227630 - Prenyl-beta-elemene

ChEBI IDCHEBI:227630
ChEBI NamePrenyl-beta-elemene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32
Net Charge0
Average Mass272.476
Monoisotopic Mass272.25040
SMILESC=C[C@]1(C)CC[C@@H](C(=C)CCC=C(C)C)C[C@H]1C(=C)C
InChIInChI=1S/C20H32/c1-8-20(7)13-12-18(14-19(20)16(4)5)17(6)11-9-10-15(2)3/h8,10,18-19H,1,4,6,9,11-14H2,2-3,5,7H3/t18-,19+,20-/m1/s1
InChIKeyGHRLTQJRUVMEDH-HSALFYBXSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (25605043)
ChEBI Ontology
Outgoing Relation(s)
Prenyl-beta-elemene (CHEBI:227630) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,2S,4R)-1-ethenyl-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)-2-prop-1-en-2-ylcyclohexane
Manual XrefsDatabases
78438375ChemSpider