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compound 0106954

PropertiesImage
MNX_IDMNXM1187962 Image of MNXM1187962
referenceenvipathM:...a7c37ed31726
formulaC12H21N2O5
global charge-1
mol weight273.309
InChIKeyFJPURHIXTHDLJB-KZNIXFCZSA-M
InChIInChI=1S/C12H22N2O5/c1-5-10(7(2)12(18)19)13-6-11(17)14(8(3)15)9(4)16/h5-9,11,15-17H,1-4H3,(H,18,19)/p-1/b10-5-,13-6+
SMILESC/C=C(\N=C\C(O)N(C(C)O)C(C)O)C(C)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C12H22N2O5/c1-5-10(7(2)12(18)19)13-6-11(17)14(8(3)15)9(4)16/h5-9,11,15-17H,1-4H3,(H,18,19)/b10-5-,13-6+/t7?,8?,9?,11? Image of MNXM1187962
SMILES (mnx)[CH3:1]/[CH:5]=[C:10]([CH:7]([CH3:2])[C:12](=[O:18])[OH:19])\[N:13]=[CH:6]\[CH:11]([N:14]([CH:8]([CH3:3])[OH:15])[CH:9]([CH3:4])[OH:16])[OH:17]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

envipath:...a7c37ed31726
envipathM:...a7c37ed31726
FJPURHIXTHDLJB-KZNIXFCZSA-M
compound 0106954