-OEChem-11021115562D

 21 20  0     1  0  0  0  0  0999 V2000
    7.0794   -5.3913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1792   -6.6030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7728   -7.4253    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0794   -6.2136    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7728   -6.6030    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3860   -6.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4630   -6.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6727   -6.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9822   -6.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2701   -6.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5580   -6.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8460   -6.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1339   -6.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4218   -6.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7098   -6.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0023   -6.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -6.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4264   -6.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1385   -6.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8506   -6.1919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5624   -6.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  1  0  0  0
  2  7  1  0  0  0  0
  5  3  1  6  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
24899729

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
Sigma-Aldrich

> <PUBCHEM_EXT_DATASOURCE_REGID>
S7049_SIGMA

> <PUBCHEM_SUBSTANCE_SYNONYM>
4-Sphingenine
D-Sphingosine
S7049_SIGMA
trans-D-erythro-2-Amino-4-octadecene-1,3-diol

> <PUBCHEM_XREF_EXT_ID>
S7049_SIGMA

> <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/SIGMA/S7049?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_CID_ASSOCIATIONS>
5280335  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
4  1  5
5  3  6

$$$$