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CHEBI:197237 - CEDRELONE

ChEBI IDCHEBI:197237
ChEBI NameCEDRELONE
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O5
Net Charge0
Average Mass422.521
Monoisotopic Mass422.20932
SMILES[H][C@]12CC[C@@]3(C)[C@H](c4ccoc4)C[C@@]4([H])O[C@]43[C@]1(C)C(=O)C(O)=C1C(C)(C)C(=O)C=C[C@@]12C
InChIInChI=1S/C26H30O5/c1-22(2)17(27)7-9-23(3)16-6-10-24(4)15(14-8-11-30-13-14)12-18-26(24,31-18)25(16,5)21(29)19(28)20(22)23/h7-9,11,13,15-16,18,28H,6,10,12H2,1-5H3/t15-,16+,18+,23+,24-,25-,26+/m0/s1
InChIKeyOQMUOVSEPOBWMK-BWLMZZBKSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
CEDRELONE (CHEBI:197237) is a limonoid (CHEBI:39434)
IUPAC Name 
(1R,2R,4R,6S,7S,10R,11R)-6-(uran-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-diene-14,18-dione
Manual XrefsDatabases
10222113ChemSpider