700
  -OEChem-04260609172D

 11 10  0     0  0  0  0  0  0999 V2000
    5.1350    0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.0600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6719    0.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    1.0349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0044    1.0349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
700

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBCIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAAAADhgAYAAABAAgAAAAAAAAAAAAAAAAAAAIAAAAACEAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-aminoethanol

> <PUBCHEM_IUPAC_CAS_NAME>
2-aminoethanol

> <PUBCHEM_IUPAC_NAME>
2-aminoethanol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-aminoethanol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-aminoethanol

> <PUBCHEM_NIST_INCHI>
InChI=1/C2H7NO/c3-1-2-4/h4H,1-3H2

> <PUBCHEM_CACTVS_XLOGP>
-1.347

> <PUBCHEM_CACTVS_EXACT_MASS>
61.0528

> <PUBCHEM_OPENEYE_MF>
C2H7NO

> <PUBCHEM_OPENEYE_MW>
61.0831

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(CO)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(CO)N

> <PUBCHEM_CACTVS_TPSA>
46.25

> <PUBCHEM_OPENEYE_MONOISOTOPICWT>
61.0528

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
4

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_SUBSTANCE_ID>
3489

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C00189

> <PUBCHEM_SUBSTANCE_COMMENT>
Is a reactant or product of enzyme EC 1.4.3.8
Is a reactant or product of enzyme EC 2.7.1.82
Is a reactant or product of enzyme EC 3.1.3.75
Is a reactant or product of enzyme EC 3.1.4.2
Is a reactant or product of enzyme EC 3.1.4.4
Is a reactant or product of enzyme EC 3.1.4.39
Is a reactant or product of enzyme EC 3.1.4.46
Is a reactant or product of enzyme EC 3.5.1.60
Is a reactant or product of enzyme EC 4.3.1.7
Is a reactant or product of enzyme EC 4.3.3.-
Is a reactant or product of enzyme EC 4.99.1.-

> <PUBCHEM_SUBSTANCE_SYNONYM>
141-43-5
2-Hydroxyethylamine
Aminoethanol
C00189
Ethanolamine

> <PUBCHEM_GENERIC_REGISTRY_NAME>
141-43-5

> <PUBCHEM_XREF_EXT_ID>
C00189

> <PUBCHEM_GENBANK_PROTEIN_ID>
11513309
11513310
14277725
29726868
49259438
49259439
49259440
49259441
49259442
49259443
49259444
51247607
51247608
51247609
51247610
60593687
60594287
60594288
62738123

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/kegg2.html

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C00189

> <PUBCHEM_CID_ASSOCIATIONS>
700  1

$$$$