6603872
  -OEChem-04262407432D

 62 63  0     0  0  0  0  0  0999 V2000
    4.5981    1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -4.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1961   -4.4049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5622   -3.0390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -3.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962   -3.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4516   -4.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8501   -5.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297   -5.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267   -5.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0063   -5.4876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4048   -4.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8862   -3.8680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6591   -4.7149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5060   -4.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0991   -2.7290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2522   -2.5020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0252   -3.3490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -2.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9703   -3.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -3.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3503   -2.8681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1593   -2.9611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3863   -3.8080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2332   -3.5810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -2.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -0.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541    0.1319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    5.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  2  0  0  0  0
  2 29  1  0  0  0  0
  2 62  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  3 57  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  8  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 13  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 14  2  0  0  0  0
 12 42  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 15  1  0  0  0  0
 14 46  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 18  1  0  0  0  0
 17 50  1  0  0  0  0
 18 19  2  0  0  0  0
 18 51  1  0  0  0  0
 19 20  1  0  0  0  0
 19 52  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 53  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 22 56  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 58  1  0  0  0  0
 26 28  2  0  0  0  0
 26 59  1  0  0  0  0
 27 29  2  0  0  0  0
 27 60  1  0  0  0  0
 28 29  1  0  0  0  0
 28 61  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6603872

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
726

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB6MAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAAABAAAAHgAQCAAADgyBkAAyxoLAAgCIAiVSUACCAAAhIgAIiAAGbMgIJiLCkZOEcAhk1BHI2QewwMAPAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2E,4Z,6E,8Z)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide

> <PUBCHEM_IUPAC_CAS_NAME>
(2E,4Z,6E,8Z)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>E</I>,4<I>Z</I>,6<I>E</I>,8<I>Z</I>)-<I>N</I>-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide

> <PUBCHEM_IUPAC_NAME>
(2E,4Z,6E,8Z)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2E,4Z,6E,8Z)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2E,4Z,6E,8Z)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6-,16-11-,19-8+,20-18+

> <PUBCHEM_IUPAC_INCHIKEY>
AKJHMTWEGVYYSE-TVUOAXQCSA-N

> <PUBCHEM_XLOGP3>
7.3

> <PUBCHEM_EXACT_MASS>
391.251129295

> <PUBCHEM_MOLECULAR_FORMULA>
C26H33NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
391.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)NC2=CC=C(C=C2)O)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C(CCC1)(C)C)/C=C\C(=C\C=C/C(=C/C(=O)NC2=CC=C(C=C2)O)/C)\C

> <PUBCHEM_CACTVS_TPSA>
49.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
391.251129295

> <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>
4

> <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

> <PUBCHEM_BONDANNOTATIONS>
24  25  8
24  26  8
25  27  8
26  28  8
27  29  8
28  29  8

$$$$