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CHEBI:166992 - calliterpenone

ChEBI IDCHEBI:166992
ChEBI Namecalliterpenone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32O3
Net Charge0
Average Mass320.473
Monoisotopic Mass320.23514
SMILES[H][C@]12CC[C@@]3([H])[C@@](CC[C@@]4([H])C(C)(C)C(=O)CC[C@]34C)(C1)C[C@]2(O)CO
InChIInChI=1S/C20H32O3/c1-17(2)14-6-9-19-10-13(20(23,11-19)12-21)4-5-15(19)18(14,3)8-7-16(17)22/h13-15,21,23H,4-12H2,1-3H3/t13-,14-,15+,18-,19-,20-/m0/s1
InChIKeyMPDUJZZNNBJFAB-JHSPYMOQSA-N
Species of MetaboliteComponentSourceComments
Nicotiana benthamiana (ncbitaxon:4100) leaf (BTO:0000713) Article
ChEBI Ontology
Outgoing Relation(s)
calliterpenone (CHEBI:166992) is a kaurane diterpenoid (CHEBI:53666)
IUPAC Name 
(1S,4R,9R,10S,13S,14R)-14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one
Manual XrefsDatabases
30809627ChemSpider