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3-oxohexobarbital

PropertiesImage
MNX_IDMNXM36760 Image of MNXM36760
referencechebi:1643
formulaC12H15N2O4
global charge1
mol weight251.262
InChIKeyQRBUUDMCIOVDKY-UHFFFAOYSA-N
InChIInChI=1S/C12H15N2O4/c1-12(8-6-4-3-5-7-8)9(15)13(2)11(17)14(18)10(12)16/h6H,3-5,7H2,1-2H3/q+1
SMILESCN1C(=O)[N+](=O)C(=O)C(C)(C2=CCCCC2)C1=O
MNX internals
InChI (mnx)InChI=1/C12H15N2O4/c1-12(8-6-4-3-5-7-8)9(15)13(2)11(17)14(18)10(12)16/h6H,3-5,7H2,1-2H3/q+1/t12? Image of MNXM36760
SMILES (mnx)[CH3:1][C:12]1([C:8]2=[CH:6][CH2:4][CH2:3][CH2:5][CH2:7]2)[C:9](=[O:15])[N:13]([CH3:2])[C:11](=[O:17])[N+:14](=[O:18])[C:10]1=[O:16]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:1643
chebi:1643
QRBUUDMCIOVDKY-UHFFFAOYSA-N
3-oxohexobarbital
5-(cyclohex-1-en-1-yl)-3,5-dimethyl-1,2,4,6-tetraoxohexahydropyrimidin-1-ium

seed.compound:cpd01656
seedM:cpd01656
sabiork.compound:2435
sabiorkM:2435
kegg.compound:C02517
keggC:C02517
QRBUUDMCIOVDKY-UHFFFAOYSA-N
3-Oxohexobarbital

keggC:M_C02517
seedM:M_cpd01656
secondary/obsolete/fantasy identifier