9831424
  -OEChem-04252404482D

116117  0     0  0  0  0  0  0999 V2000
   15.9522    6.8200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6843   10.8199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9522   10.8199    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4142   17.4749    0.0000 C   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
    9.4142   18.4749    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
   10.2803   18.9749    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
   10.2803   16.9749    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
   11.1463   18.4749    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
   11.1463   17.4749    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
    8.4142   17.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6200    1.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4142   15.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4142   14.4749    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
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    8.5482   12.9749    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
    7.6822   12.4749    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
    7.6822   11.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.9522    9.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.8182    8.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9522    7.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8182   11.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8182   12.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2022   19.0576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8036   18.3673    0.0000 H   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
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    7.7942   17.4749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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 51115  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9831424

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
1260

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB+MAAAAAAAAAAAAAAAAAAAAAAAAAAwQIAAAAAAAAABAAAAHgAQCAAADgyBkAAyxoLAAgCIAiVSUACCAAAhIgAIiAAGbIgIJiLCkZOEcAhk1BHI2AewwMAPAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(4-hydroxyphenyl)acetamide;1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene

> <PUBCHEM_IUPAC_CAS_NAME>
N-(4-hydroxyphenyl)acetamide;1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(4-hydroxyphenyl)acetamide;1,3,3-trimethyl-2-[(1<I>E</I>,3<I>E</I>,5<I>E</I>,7<I>E</I>,9<I>E</I>,11<I>E</I>,13<I>E</I>,15<I>E</I>,17<I>E</I>)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene

> <PUBCHEM_IUPAC_NAME>
N-(4-hydroxyphenyl)acetamide;1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(4-hydroxyphenyl)ethanamide;1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(4-hydroxyphenyl)acetamide;1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C40H56.C8H9NO2/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10;1-6(10)9-7-2-4-8(11)5-3-7/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3;2-5,11H,1H3,(H,9,10)/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+;

> <PUBCHEM_IUPAC_INCHIKEY>
YBAGHZJKQSOOTQ-UKLSCZHBSA-N

> <PUBCHEM_EXACT_MASS>
687.50153032

> <PUBCHEM_MOLECULAR_FORMULA>
C48H65NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
688.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C.CC(=O)NC1=CC=C(C=C1)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2=C(CCCC2(C)C)C)\C)\C)/C)/C.CC(=O)NC1=CC=C(C=C1)O

> <PUBCHEM_CACTVS_TPSA>
49.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
687.50153032

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
51

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
9

> <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

> <PUBCHEM_BONDANNOTATIONS>
44  45  8
44  46  8
45  47  8
46  48  8
47  49  8
48  49  8

$$$$