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CHEBI:166994 - clerodane

ChEBI IDCHEBI:166994
ChEBI Nameclerodane
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H38
Net Charge0
Average Mass278.524
Monoisotopic Mass278.29735
SMILES[H][C@]12CCC[C@H](C)[C@]1(C)CC[C@@H](C)[C@]2(C)CCC(C)CC
InChIInChI=1S/C20H38/c1-7-15(2)11-13-19(5)17(4)12-14-20(6)16(3)9-8-10-18(19)20/h15-18H,7-14H2,1-6H3/t15?,16-,17+,18+,19-,20-/m0/s1
InChIKeyUKXNCRFTOXSKTE-KFCWCOGWSA-N
Species of MetaboliteComponentSourceComments
Nicotiana benthamiana (ncbitaxon:4100) leaf (BTO:0000713) Article
ChEBI Ontology
Outgoing Relation(s)
clerodane (CHEBI:166994) is a diterpenoid (CHEBI:23849)
IUPAC Name 
(1S,4aS,5S,6R,8aS)-1,5,6,8a-tetramethyl-5-(3-methylpentyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene
Manual XrefsDatabases
383866ChemSpider