447277
  -OEChem-04262403082D

 65 64  0     1  0  0  0  0  0999 V2000
   16.7224   -0.1415    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   18.4545   -0.1415    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564   -0.6415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885    0.3585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2224    0.7245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2224   -1.0075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3205   -0.6415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9545    0.7245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9545   -1.0075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -0.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -0.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    0.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -0.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297   -1.1164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267   -1.1164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607    0.3335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6636    0.3335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248    0.3335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278    0.3335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -1.1164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -1.1164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938   -1.1164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908   -1.1164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.3335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.3335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4142    0.8585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.4785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1742    0.8585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9501    0.8585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.4785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7101    0.8585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -1.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8783    0.8585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    1.4785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6383    0.8585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3889    0.3335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5919    0.3335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.1045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.1784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    0.8585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    0.8585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5324    1.2615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.8574   -0.3315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6445    1.2615    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  1  0  0  0  0
  1  6  2  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  2  0  0  0  0
  3 27  1  0  0  0  0
  5 63  1  0  0  0  0
  7 64  1  0  0  0  0
  8 65  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 17  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 18  2  0  0  0  0
 12 21  1  0  0  0  0
 13 16  1  0  0  0  0
 13 18  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
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 14 22  1  0  0  0  0
 15 19  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 20  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 23  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 24  2  0  0  0  0
 20 25  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 26  2  0  0  0  0
 23 50  1  0  0  0  0
 24 27  1  0  0  0  0
 24 51  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 55  1  0  0  0  0
 27 56  1  0  0  0  0
 28 57  1  0  0  0  0
 28 58  1  0  0  0  0
 28 59  1  0  0  0  0
 29 60  1  0  0  0  0
 29 61  1  0  0  0  0
 29 62  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
447277

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
710

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
14

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4OAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACCAADACggAICAAAAARCAQiBCAIAAAAAgAAAACAAAAAgABAIAAQAAEAAAgAAIAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
phosphono [(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] hydrogen phosphate

> <PUBCHEM_IUPAC_CAS_NAME>
phosphono [(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] hydrogen phosphate

> <PUBCHEM_IUPAC_NAME_MARKUP>
phosphono [(2<I>E</I>,6<I>E</I>,10<I>E</I>)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] hydrogen phosphate

> <PUBCHEM_IUPAC_NAME>
phosphono [(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] hydrogen phosphate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
phosphono [(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] hydrogen phosphate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
phosphono [(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] hydrogen phosphate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13+,20-15+

> <PUBCHEM_IUPAC_INCHIKEY>
OINNEUNVOZHBOX-QIRCYJPOSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
450.19362748

> <PUBCHEM_MOLECULAR_FORMULA>
C20H36O7P2

> <PUBCHEM_MOLECULAR_WEIGHT>
450.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COP(=O)(O)OP(=O)(O)O)/C)/C)/C)C

> <PUBCHEM_CACTVS_TPSA>
113

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
450.19362748

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
3

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$