-OEChem-10191113482D

 15 15  0     1  0  0  0  0  0999 V2000
    0.4001    0.4706    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0972    0.2825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0972   -1.7053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1146   -0.2917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6176    0.4933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8266    1.5728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0972   -0.9871    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4001   -0.3544    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1146   -0.9871    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.6176   -0.3317    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1146    0.2825    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.1146    1.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1146    0.8831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1146    1.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8266    0.4721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 12  1  0  0  0  0
  8  7  1  1  0  0  0
  9  7  1  1  0  0  0
 10  9  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
24896093

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
Sigma-Aldrich

> <PUBCHEM_EXT_DATASOURCE_REGID>
I6758_SIAL

> <PUBCHEM_SUBSTANCE_SYNONYM>
I6758_SIAL
IPTG
Isopropyl beta-D-1-thiogalactopyranoside
Isopropyl beta-D-thiogalactoside

> <PUBCHEM_XREF_EXT_ID>
I6758_SIAL

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.sigmaaldrich.com?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.sigmaaldrich.com/catalog/search/ProductDetail/SIAL/I6758?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_CID_ASSOCIATIONS>
16217509  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
8  7  5
9  7  5
10  9  5

$$$$