-OEChem-07191013272D

  9  9  0     0  0  0  0  0  0999 V2000
   20.2167  -14.4293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9939  -12.3423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7967  -14.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0130  -15.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5866  -15.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0130  -16.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7902  -13.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5866  -16.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7967  -17.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  7  1  0  0  0  0
  4  6  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
5375

> <PUBCHEM_SUBSTANCE_VERSION>
7

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C02323

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 90-01-7
ChEBI: 16464
3DMET: B00424
NIKKAJI: J4.312E
Same as: D05790
Is a reactant or product of enzyme EC 2.4.1.172
Is a reactant or product of enzyme EC 3.2.1.86

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-(Hydroxymethyl)phenol
2-Hydroxybenzyl alcohol
90-01-7
C02323
Salicyl alcohol
Saligenin

> <PUBCHEM_GENERIC_REGISTRY_NAME>
90-01-7

> <PUBCHEM_XREF_EXT_ID>
C02323

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C02323

> <PUBCHEM_CID_ASSOCIATIONS>
5146  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$