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CHEBI:185901 - STROPHANTHIDIN SEMICARBAZIDE

ChEBI IDCHEBI:185901
ChEBI NameSTROPHANTHIDIN SEMICARBAZIDE
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H35N3O6
Net Charge0
Average Mass461.559
Monoisotopic Mass461.25259
SMILESCC12CCC3C(CCC4(O)CC(O)CCC34/C=N/NC(N)=O)C1(O)CCC2C1=CC(=O)OC1
InChIInChI=1S/C24H35N3O6/c1-21-6-3-17-18(24(21,32)9-5-16(21)14-10-19(29)33-12-14)4-8-23(31)11-15(28)2-7-22(17,23)13-26-27-20(25)30/h10,13,15-18,28,31-32H,2-9,11-12H2,1H3,(H3,25,27,30)/b26-13+
InChIKeyGFJQQPYCTIQFPJ-LGJNPRDNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
STROPHANTHIDIN SEMICARBAZIDE (CHEBI:185901) is a cardenolides (CHEBI:74634)
IUPAC Name 
[(E)-[3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-uran-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-10-yl]methylideneamino]urea
Manual XrefsDatabases
20556890ChemSpider