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CHEBI:168480 - Desoxylimonin

ChEBI IDCHEBI:168480
ChEBI NameDesoxylimonin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O7
Net Charge0
Average Mass454.519
Monoisotopic Mass454.19915
SMILESCC1(C)OC2CC(=O)OCC23C1CC(=O)C1(C)C2=CC(=O)OC(c4ccoc4)C2(C)CCC13
InChIInChI=1S/C26H30O7/c1-23(2)16-9-18(27)25(4)15(26(16)13-31-20(28)11-19(26)33-23)5-7-24(3)17(25)10-21(29)32-22(24)14-6-8-30-12-14/h6,8,10,12,15-16,19,22H,5,7,9,11,13H2,1-4H3
InChIKeyQUTATOGBENCRSS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Desoxylimonin (CHEBI:168480) is a steroid lactone (CHEBI:26766)
IUPAC Name 
18-(uran-3-yl)-9,9,13,19-tetramethyl-4,8,17-trioxapentacyclo[11.8.0.02,7.02,10.014,19]henicos-14-ene-5,12,16-trione
Manual XrefsDatabases
90382ChemSpider
HMDB0035031HMDB
Registry NumbersSources
CAS:989-23-1ChemIDplus