11387374
  -OEChem-06191300212D

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    8.0224    1.5450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0224    8.2420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 16 25  1  0  0  0  0
 17 26  1  0  0  0  0
 17 27  1  0  0  0  0
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 18 46  1  0  0  0  0
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 33 73  1  0  0  0  0
 34 35  1  0  0  0  0
 34 74  1  0  0  0  0
 35 75  1  0  0  0  0
M  CHG  1   1   2
M  RAD  8  22   2  23   2  28   2  29   2  30   2  31   2  32   2  33   2
M  RAD  2  34   2  35   2
M  END
> <PUBCHEM_COMPOUND_CID>
11387374

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
279

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4OAMAAAAgAAAAAAAAAAAAAaNEiRAAAAAAAAASJAAAAAAAGggAAAAACBSogAICCAAABCAAAAAAAAAAAAAAAAAAAAAAAAARAAIAAAAiAAAEAAAGAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ferrous;(3aS,4S,6S,6aS)-5-cyclopentyl-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole

> <PUBCHEM_IUPAC_CAS_NAME>
(3aS,4S,6S,6aS)-5-cyclopentyl-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole;iron(2+)

> <PUBCHEM_IUPAC_NAME>
(3aS,4S,6S,6aS)-5-cyclopentyl-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole;iron(2+)

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3aS,4S,6S,6aS)-5-cyclopentyl-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole;iron(2+)

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ferrous;(3aS,4S,6S,6aS)-5-cyclopentyl-2,2,4,6-tetramethyl-3a,4,6,6a-tetrahydrophospholo[3,4-d][1,3]dioxole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/2C14H20O2P.Fe/c2*1-9-12-13(16-14(3,4)15-12)10(2)17(9)11-7-5-6-8-11;/h2*5-10,12-13H,1-4H3;/q;;+2/t2*9-,10-,12+,13+;/m00./s1

> <PUBCHEM_IUPAC_INCHIKEY>
XAYCAULWGCGXQS-DYCBUYNASA-N

> <PUBCHEM_EXACT_MASS>
558.175121

> <PUBCHEM_MOLECULAR_FORMULA>
C28H40FeO4P2+2

> <PUBCHEM_MOLECULAR_WEIGHT>
558.407324

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1C2C(C(P1[C]3[CH][CH][CH][CH]3)C)OC(O2)(C)C.CC1C2C(C(P1[C]3[CH][CH][CH][CH]3)C)OC(O2)(C)C.[Fe+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H]1[C@@H]2[C@@H]([C@@H](P1[C]3[CH][CH][CH][CH]3)C)OC(O2)(C)C.C[C@H]1[C@@H]2[C@@H]([C@@H](P1[C]3[CH][CH][CH][CH]3)C)OC(O2)(C)C.[Fe+2]

> <PUBCHEM_CACTVS_TPSA>
36.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
558.175121

> <PUBCHEM_TOTAL_CHARGE>
2

> <PUBCHEM_HEAVY_ATOM_COUNT>
35

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
8

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  38  5
11  39  5
12  18  5
13  19  5
14  20  6
15  21  6
8  36  6
9  37  6

$$$$