KEGG   COMPOUND: C12245Help
Entry
C12245                      Compound                               

Name
Methyl5-(but-3-en-1-yl)amino-1,3,4-oxadiazole-2-carboxylate
Formula
C8H11N3O3
Exact mass
197.08
Mol weight
197.1912
Structure
Mol fileKCF fileDB search
Other DBs
PubChem: 14390
ChEBI: 31833
NIKKAJI: J1.811.909I
LinkDB All DBs
KCF data Show

ATOM        14
            1   O2x O    26.8367  -19.1075
            2   C8y C    25.6969  -19.9242
            3   N5x N    26.1235  -21.2610
            4   N5x N    27.5270  -21.2658
            5   C8y C    27.9631  -19.9320
            6   N1b N    29.1727  -19.2282
            7   C1b C    30.3831  -19.9218
            8   C1b C    31.5936  -19.2210
            9   C2b C    32.8040  -19.9147
            10  C2a C    34.0145  -19.2139
            11  C7a C    24.4795  -19.2210
            12  O7a O    23.2690  -19.9218
            13  C1a C    22.0586  -19.2210
            14  O6a O    24.4788  -17.8194
BOND        14
            1     6   7 1
            2     1   2 1
            3     7   8 1
            4     3   4 1
            5     8   9 1
            6     4   5 2
            7     9  10 2
            8     5   1 1
            9     2  11 1
            10   11  12 1
            11    5   6 1
            12   12  13 1
            13    2   3 2
            14   11  14 2

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