10269411
  -OEChem-04262419322D

 52 51  0     0  0  0  0  0  0999 V2000
    8.8162    5.0475    0.0000 Zn  0  2  0  0  0  0  0  0  0  0  0  0
    6.8162    9.9750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6200    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6200    0.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4860    0.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4860    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3520    0.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3520    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1200    2.8410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4860    3.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2181    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3520    3.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3520    4.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4860    5.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2181    5.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2181    6.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0841    6.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0841    7.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2181    8.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9501    8.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9501    9.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0094    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4080    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0875    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8846    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5641    0.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9626    1.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    2.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    1.3550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6569    3.1510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8100    3.3779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5831    2.5310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9491    3.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5281    1.9380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7550    2.7849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9081    3.0119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8890    3.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7960    6.0119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9491    5.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1760    4.9380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7550    5.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6811    6.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6210    6.6650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5281    9.0119    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6811    8.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9081    7.9380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4871    8.1649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7381   10.0576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3396    9.3673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8162   10.5949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 22  1  0  0  0  0
  2 52  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 12  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  2  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 17  1  0  0  0  0
 16 43  1  0  0  0  0
 17 18  2  0  0  0  0
 17 44  1  0  0  0  0
 18 19  1  0  0  0  0
 18 45  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 22  1  0  0  0  0
 21 49  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
M  CHG  1   1   2
M  END
> <PUBCHEM_COMPOUND_CID>
10269411

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
496

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4IAAAAAACAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAGgAACAAADgCggAICAAAAAgCAAiBCAAAAAAAgAAAICAAAAAgIFAIAAQAAEAAAgAAIkAMAgMAPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
zinc;(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol

> <PUBCHEM_IUPAC_CAS_NAME>
zinc;(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-1-nona-2,4,6,8-tetraenol

> <PUBCHEM_IUPAC_NAME_MARKUP>
zinc;(2<I>E</I>,4<I>E</I>,6<I>E</I>,8<I>E</I>)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol

> <PUBCHEM_IUPAC_NAME>
zinc;(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
zinc;(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
zinc;(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H30O.Zn/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5;/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3;/q;+2/b9-6+,12-11+,16-8+,17-13+;

> <PUBCHEM_IUPAC_INCHIKEY>
WOFWTTUXOZPSKB-FUTAMACOSA-N

> <PUBCHEM_EXACT_MASS>
350.158807

> <PUBCHEM_MOLECULAR_FORMULA>
C20H30OZn+2

> <PUBCHEM_MOLECULAR_WEIGHT>
351.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C.[Zn+2]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C.[Zn+2]

> <PUBCHEM_CACTVS_TPSA>
20.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
350.158807

> <PUBCHEM_TOTAL_CHARGE>
2

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
4

> <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

$$$$