168006080
  -OEChem-04292400272D

 74 74  0     1  0  0  0  0  0999 V2000
    8.9282    6.5086    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4196    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.4196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.9196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4282    2.1785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0075   -6.4970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7620   -5.2225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9196    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282    5.6426    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.9282    4.7766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.9196    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7942   -0.9196    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9282   -0.4196    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6882   -2.4542    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9282   -2.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.9196    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.6882   -0.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942   -0.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942   -1.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282    0.4464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4282    0.4464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6766   -3.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4583   -2.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5368   -3.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5252   -4.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282    2.1785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3274   -5.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7095   -5.5425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282    3.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0074   -6.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.7766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7894   -0.2996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2221   -2.7694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297   -2.8945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267   -2.8945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0818    0.0941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2836    0.0849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4516   -1.8119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8501   -2.5022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1742   -2.9196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.5396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4142   -2.9196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2051   -1.0049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8033   -0.3151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9533    0.8450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9533    0.0479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9651    0.1364    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7382    0.9834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8913    0.7564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0673   -3.3395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4578   -4.0343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4559   -3.0637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9965   -2.1358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0773   -3.6604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    0.0554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    0.0554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4032    2.6460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4032    3.4430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9192   -5.3764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -1.3945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -1.3945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9533    4.3091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9533    3.5120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3660   -7.0144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3 18  1  0  0  0  0
  3 29  1  0  0  0  0
  4 24  1  0  0  0  0
  4 31  1  0  0  0  0
  5 29  2  0  0  0  0
  6 31  2  0  0  0  0
  7 35  1  0  0  0  0
  7 38  1  0  0  0  0
  8 35  2  0  0  0  0
  9 39  1  0  0  0  0
 10 39  2  0  0  0  0
 11 40  1  0  0  0  0
 12 40  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 14 41  1  0  0  0  0
 15 18  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 16 23  1  0  0  0  0
 16 26  1  0  0  0  0
 16 42  1  0  0  0  0
 17 20  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 20  1  0  0  0  0
 18 45  1  0  0  0  0
 19 22  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 21 52  1  0  0  0  0
 22 23  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 23 27  2  0  0  0  0
 24 55  1  0  0  0  0
 24 56  1  0  0  0  0
 25 57  1  0  0  0  0
 25 58  1  0  0  0  0
 25 59  1  0  0  0  0
 26 28  1  0  0  0  0
 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
 27 62  1  0  0  0  0
 27 63  1  0  0  0  0
 28 30  2  0  0  0  0
 28 64  1  0  0  0  0
 29 32  1  0  0  0  0
 30 34  1  0  0  0  0
 30 35  1  0  0  0  0
 31 33  1  0  0  0  0
 32 36  1  0  0  0  0
 32 65  1  0  0  0  0
 32 66  1  0  0  0  0
 33 37  1  0  0  0  0
 33 67  1  0  0  0  0
 33 68  1  0  0  0  0
 34 38  2  0  0  0  0
 34 69  1  0  0  0  0
 36 39  1  0  0  0  0
 36 70  1  0  0  0  0
 36 71  1  0  0  0  0
 37 40  1  0  0  0  0
 37 72  1  0  0  0  0
 37 73  1  0  0  0  0
 38 74  1  0  0  0  0
M  CHG  4   1   1   2   1   9  -1  11  -1
M  END
> <PUBCHEM_COMPOUND_CID>
168006080

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1040

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4PCAAQAAAAAAAAAAAAAAAAQAAAAAwYAAAAAAAAADAAAAAGgAAAAAADxSggAICCAAABACIAiDSCAAACAAgIAAICAEAAEgIBBIAIQACEAAFwAAIoYPDwPAPgAAAAAAAAABAAAYAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
potassium;sodium;4-[[2-(3-carboxylatopropanoyloxy)-1,4a-dimethyl-6-methylene-5-[(2Z)-2-(2-oxo-3-furylidene)ethyl]decalin-1-yl]methoxy]-4-oxo-butanoate

> <PUBCHEM_IUPAC_CAS_NAME>
potassium;sodium;4-[[2-(3-carboxylato-1-oxopropoxy)-1,4a-dimethyl-6-methylene-5-[(2Z)-2-(2-oxo-3-furanylidene)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-4-oxobutanoate

> <PUBCHEM_IUPAC_NAME_MARKUP>
potassium;sodium;4-[[2-(3-carboxylatopropanoyloxy)-1,4<I>a</I>-dimethyl-6-methylidene-5-[(2<I>Z</I>)-2-(2-oxofuran-3-ylidene)ethyl]-3,4,5,7,8,8<I>a</I>-hexahydro-2<I>H</I>-naphthalen-1-yl]methoxy]-4-oxobutanoate

> <PUBCHEM_IUPAC_NAME>
potassium;sodium;4-[[2-(3-carboxylatopropanoyloxy)-1,4a-dimethyl-6-methylidene-5-[(2Z)-2-(2-oxofuran-3-ylidene)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-4-oxobutanoate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
potassium;sodium;4-[[1,4a-dimethyl-6-methylidene-2-(4-oxidanidyl-4-oxidanylidene-butanoyl)oxy-5-[(2Z)-2-(2-oxidanylidenefuran-3-ylidene)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-4-oxidanylidene-butanoate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
potassium;sodium;4-[[2-(3-carboxylatopropanoyloxy)-5-[(2Z)-2-(2-keto-3-furylidene)ethyl]-1,4a-dimethyl-6-methylene-decalin-1-yl]methoxy]-4-keto-butyrate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C28H36O10.K.Na/c1-17-4-7-20-27(2,19(17)6-5-18-13-15-36-26(18)35)14-12-21(38-25(34)11-9-23(31)32)28(20,3)16-37-24(33)10-8-22(29)30;;/h5,13,15,19-21H,1,4,6-12,14,16H2,2-3H3,(H,29,30)(H,31,32);;/q;2*+1/p-2/b18-5-;;

> <PUBCHEM_IUPAC_INCHIKEY>
MZXSMTFMRXUGGI-MHKBYHAFSA-L

> <PUBCHEM_EXACT_MASS>
592.16867304

> <PUBCHEM_MOLECULAR_FORMULA>
C28H34KNaO10

> <PUBCHEM_MOLECULAR_WEIGHT>
592.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC12CCC(C(C1CCC(=C)C2CC=C3C=COC3=O)(C)COC(=O)CCC(=O)[O-])OC(=O)CCC(=O)[O-].[Na+].[K+]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC12CCC(C(C1CCC(=C)C2C/C=C\3/C=COC3=O)(C)COC(=O)CCC(=O)[O-])OC(=O)CCC(=O)[O-].[Na+].[K+]

> <PUBCHEM_CACTVS_TPSA>
159

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
592.16867304

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
40

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
5

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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>
13  21  3
14  19  3
15  25  3
16  26  3
18  3  3

$$$$
