-OEChem-01131113472D

 10  9  0     0  0  0  0  0  0999 V2000
   25.8704  -16.0881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.0543  -14.0353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3189  -15.4000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   23.5027  -16.0881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6866  -15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0543  -15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5840  -16.7355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6365  -14.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9542  -15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2382  -16.0881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  6 10  1  0  0  0  0
M  CHG  1   3   1
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_SUBSTANCE_ID>
5093

> <PUBCHEM_SUBSTANCE_VERSION>
7

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C01996

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 51-84-3
ChEBI: 15355
PDB-CCD: ACH
3DMET: B00379
NIKKAJI: J4.127K
Is a reactant or product of enzyme EC 2.3.1.6
Is a reactant or product of enzyme EC 3.1.1.7
Is a reactant or product of enzyme EC 3.1.1.8

> <PUBCHEM_SUBSTANCE_SYNONYM>
51-84-3
Acetylcholine
C01996
O-Acetylcholine

> <PUBCHEM_GENERIC_REGISTRY_NAME>
51-84-3

> <PUBCHEM_XREF_EXT_ID>
C01996

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C01996

> <PUBCHEM_CID_ASSOCIATIONS>
187  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$