28866
  -OEChem-05231308252D

 31 31  0     1  0  0  0  0  0999 V2000
    1.9866    3.6200    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    1.3987    8.2358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9866    4.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9865    3.6200    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.9866    3.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3667    7.5364    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1588    8.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2077    8.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9866    2.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8987    9.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1205    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8526    2.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1205    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8526    1.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8987    9.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9866    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5897    8.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7784    8.5362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2450    9.1286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4956    6.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9731    7.6654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7602    7.4076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5836    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3895    2.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2631   10.2763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5836    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3895    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5342   10.2763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9866    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.6320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5235    4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  2  0  0  0  0
  1  9  1  0  0  0  0
  2  8  1  0  0  0  0
  2 17  1  0  0  0  0
  3 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 25  1  0  0  0  0
 11 13  1  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  0  0  0  0
 12 24  1  0  0  0  0
 13 16  2  0  0  0  0
 13 26  1  0  0  0  0
 14 16  1  0  0  0  0
 14 27  1  0  0  0  0
 15 17  2  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
M  CHG  2   4  -1   6   1
M  END
> <PUBCHEM_COMPOUND_CID>
28866

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
199

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByOAIAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAHggQCCAACAThkAYwBIBABFCIQKhSgICCCAAkIAAIiIGGDMgOJjKEtRuDOSDkwBEIqYeYEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-furylmethylammonium;hydroxy(phenyl)phosphinate

> <PUBCHEM_IUPAC_CAS_NAME>
2-furanylmethylammonium;hydroxy(phenyl)phosphinate

> <PUBCHEM_IUPAC_NAME>
furan-2-ylmethylazanium;hydroxy(phenyl)phosphinate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
furan-2-ylmethylazanium;oxidanyl(phenyl)phosphinate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-furfurylammonium;hydroxy(phenyl)phosphinate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C6H7O3P.C5H7NO/c7-10(8,9)6-4-2-1-3-5-6;6-4-5-2-1-3-7-5/h1-5H,(H2,7,8,9);1-3H,4,6H2

> <PUBCHEM_IUPAC_INCHIKEY>
PBZRZTRBPHTFPZ-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
255.066045

> <PUBCHEM_MOLECULAR_FORMULA>
C11H14NO4P

> <PUBCHEM_MOLECULAR_WEIGHT>
255.206922

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)P(=O)(O)[O-].C1=COC(=C1)C[NH3+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)P(=O)(O)[O-].C1=COC(=C1)C[NH3+]

> <PUBCHEM_CACTVS_TPSA>
101

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
255.066045

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  15  8
11  13  8
12  14  8
13  16  8
14  16  8
15  17  8
2  17  8
2  8  8
8  10  8
9  11  8
9  12  8

$$$$