-OEChem-01131113492D

 10  9  0     1  0  0  0  0  0999 V2000
    4.2917   -5.6542    0.0000 S   0  0  3  0  0  0  0  0  0  0  0  0
    3.5792   -6.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -6.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2917   -6.4792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042   -5.2417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500   -5.2417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -5.6542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5792   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667   -6.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8625   -4.8292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  2  0  0  0  0
  3  9  1  0  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  6  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
99362379

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEBI

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEBI:742047

> <PUBCHEM_SUBSTANCE_SYNONYM>
CHEBI:742047

> <PUBCHEM_XREF_EXT_ID>
CHEBI:742047

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.ebi.ac.uk/chebi/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:742047

> <PUBCHEM_CID_ASSOCIATIONS>
1549098  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
7  6  5
7  10  6

$$$$