46870578
  -OEChem-04292400032D

 44 43  0     0  0  0  0  0  0999 V2000
    2.5369   -2.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.6270    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -0.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -2.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -1.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -1.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972   -0.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    1.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    1.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7953    1.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -0.6520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -0.6520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4399   -0.4510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5930   -0.2240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660   -1.0710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -2.8030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2130   -3.0300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4399   -2.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.2470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006   -2.1019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9976   -2.1019    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.2470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8637   -0.6520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0666   -0.6520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.5070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -2.2470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341   -1.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.1830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6002    0.0630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    2.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4853    0.8361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3322    1.0630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1053    1.9100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 29  1  0  0  0  0
  2  8  2  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 12  2  0  0  0  0
 10 32  1  0  0  0  0
 11 13  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  2  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  2  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  2  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
46870578

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
363

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAADETBgAQCAALAAgCIACFSEACAAAAgAAAICIAIAEgKAAAAAQAEAAAAlgCYgYIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2E,6Z,8E,10Z)-N-(2-hydroxy-2-methyl-propyl)dodeca-2,6,8,10-tetraenamide

> <PUBCHEM_IUPAC_CAS_NAME>
(2E,6Z,8E,10Z)-N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>E</I>,6<I>Z</I>,8<I>E</I>,10<I>Z</I>)-<I>N</I>-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide

> <PUBCHEM_IUPAC_NAME>
(2E,6Z,8E,10Z)-N-(2-hydroxy-2-methylpropyl)dodeca-2,6,8,10-tetraenamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2E,6Z,8E,10Z)-N-(2-methyl-2-oxidanyl-propyl)dodeca-2,6,8,10-tetraenamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2E,6Z,8E,10Z)-N-(2-hydroxy-2-methyl-propyl)dodeca-2,6,8,10-tetraenamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H25NO2/c1-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(2,3)19/h4-9,12-13,19H,10-11,14H2,1-3H3,(H,17,18)/b5-4-,7-6+,9-8-,13-12+

> <PUBCHEM_IUPAC_INCHIKEY>
LHFKHAVGGJJQFF-JRNWQWJGSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
263.188529040

> <PUBCHEM_MOLECULAR_FORMULA>
C16H25NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
263.37

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC=CC=CC=CCCC=CC(=O)NCC(C)(C)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C/C=C\C=C\C=C/CC/C=C/C(=O)NCC(C)(C)O

> <PUBCHEM_CACTVS_TPSA>
49.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
263.188529040

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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

$$$$
