11992140
  -OEChem-04262419492D

 63 64  0     1  0  0  0  0  0999 V2000
    5.5981   -6.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    2.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    6.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    2.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -5.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -6.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -6.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -4.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -6.0950    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7320   -5.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -4.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -4.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    2.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    4.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622    4.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3301    5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0622    5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    5.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3894   -5.9873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7880   -6.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4675   -7.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2646   -7.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7320   -6.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800   -5.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369   -3.9190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -3.6920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9631   -4.5390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291   -3.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9081   -5.1319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350   -4.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2881   -4.0581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5981   -7.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690   -3.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1760   -1.0581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291   -1.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5560   -2.1319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350   -1.9050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611   -0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0010   -0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8671    1.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9081    1.9419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0611    1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2881    0.8681    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331    2.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7932    4.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    4.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7932    5.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5991    5.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7331    7.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 46  1  0  0  0  0
  2 24  2  0  0  0  0
  3 30  1  0  0  0  0
  3 63  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  4 58  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7  9  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
 10 14  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 15  2  0  0  0  0
 13 42  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
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 15 47  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 51  1  0  0  0  0
 19 20  2  0  0  0  0
 19 52  1  0  0  0  0
 20 21  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 55  1  0  0  0  0
 22 56  1  0  0  0  0
 22 57  1  0  0  0  0
 23 24  1  0  0  0  0
 23 54  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  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 30  2  0  0  0  0
 28 61  1  0  0  0  0
 29 30  1  0  0  0  0
 29 62  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11992140

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
759

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB6MAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAAABAAAAHgAQCAAADhyhkAIyxoLAAgCIAiVSUACCAAAhIgAIiAAGbMgINiLCkZOEcAhk1BHI2QewwMAPAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H33NO3/c1-18(9-14-23-20(3)24(29)15-16-26(23,4)5)7-6-8-19(2)17-25(30)27-21-10-12-22(28)13-11-21/h6-14,17,24,28-29H,15-16H2,1-5H3,(H,27,30)/b8-6+,14-9+,18-7+,19-17+

> <PUBCHEM_IUPAC_INCHIKEY>
UMTKXEKOPUGPJI-KFJFTADJSA-N

> <PUBCHEM_XLOGP3_AA>
5.4

> <PUBCHEM_EXACT_MASS>
407.24604391

> <PUBCHEM_MOLECULAR_FORMULA>
C26H33NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
407.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C(CCC1O)(C)C)C=CC(=CC=CC(=CC(=O)NC2=CC=C(C=C2)O)C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C(CCC1O)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)NC2=CC=C(C=C2)O)/C)/C

> <PUBCHEM_CACTVS_TPSA>
69.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
407.24604391

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
9  1  3
25  26  8
25  27  8
26  28  8
27  29  8
28  30  8
29  30  8

$$$$