KEGG   COMPOUND: C07832
Entry
C07832                      Compound                               
Name
Ethinamate
Formula
C9H13NO2
Exact mass
167.0946
Mol weight
167.205
Structure
Remark
Same as: D00703
Other DBs
CAS: 126-52-3
PubChem: 10034
ChEBI: 4884
NIKKAJI: J2.513E
KCF data

ATOM        12
            1   C1z C    29.4818  -16.1230
            2   O7a O    30.6945  -16.8285
            3   C1x C    28.2808  -16.8285
            4   C1x C    29.4877  -14.7237
            5   C7a C    31.9071  -16.1230
            6   C1x C    27.0681  -16.1230
            7   C1x C    28.2808  -14.0241
            8   N1a N    33.1197  -16.8285
            9   O6a O    31.9014  -14.7237
            10  C1x C    27.0681  -14.7237
            11  C3b C    29.4818  -17.5230
            12  C3a C    29.4818  -18.9230
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     5   9 2
            9     6  10 1
            10    7  10 1
            11    1  11 1
            12   11  12 3

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Drug (1)   
   KEGG DRUG (1)   
Chemical substance (6)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   MASSBANK (1)   
   NIKKAJI (1)   
All databases (7)   

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