57124934
  -OEChem-05152410312D

 53 54  0     0  0  0  0  0  0999 V2000
    2.0000   -1.9748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8188    0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3188    1.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8188    0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8188    2.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8188    2.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3188    1.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6848    0.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8188   -0.4383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3188   -0.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3188    1.4278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3188   -0.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8188   -1.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8188   -1.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3849   -2.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4100   -2.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6282   -1.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3188   -2.0363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3849   -0.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6282   -0.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4100   -0.0468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7272   -2.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9010   -1.5409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7938    1.0292    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7938    1.8263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4014    2.5058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7112    2.9044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9265    2.9044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2362    2.5058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3748   -0.4752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2218   -0.2483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9948    0.5987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1988   -0.4383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8188   -1.0583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4388   -0.4383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6288   -0.8412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3188    2.0478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6988    1.4278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3188    0.8078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0088    0.2327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3849   -2.6913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9894   -2.2092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9253   -2.6804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6790   -2.8524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7819   -2.3463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6288   -2.5733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8558   -1.7263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7715    0.2154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3592   -0.1117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0237   -0.8083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2720    0.5576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6809   -2.7225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9473   -0.9226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  7  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 11  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 12  2  3  0  0  0
 10 36  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 13 14  2  3  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  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
 16 44  1  0  0  0  0
 17 20  1  0  0  0  0
 17 22  2  3  0  0  0
 18 45  1  0  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 19 21  2  0  0  0  0
 19 48  1  0  0  0  0
 20 21  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 23  1  0  0  0  0
 22 52  1  0  0  0  0
 23 53  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57124934

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
606

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4IAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAABAAAAAAAAAAAGgAAAAAADgCggAICAAAAAACIAihSgAAAAAAgAAAICAAAAEgIAAIAAQAAAAAAgAAIgQMAgMAPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[5-[1-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enylidene]cyclohept-3-en-1-ylidene]acetaldehyde

> <PUBCHEM_IUPAC_CAS_NAME>
2-[5-[4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-ylidene]-1-cyclohept-3-enylidene]acetaldehyde

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[5-[4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]cyclohept-3-en-1-ylidene]acetaldehyde

> <PUBCHEM_IUPAC_NAME>
2-[5-[4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]cyclohept-3-en-1-ylidene]acetaldehyde

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[5-[4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]cyclohept-3-en-1-ylidene]ethanal

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[5-[1-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enylidene]cyclohept-3-en-1-ylidene]acetaldehyde

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H30O/c1-17(20-9-5-8-19(11-12-20)14-16-23)10-13-21-18(2)7-6-15-22(21,3)4/h5,9-10,13-14,16H,6-8,11-12,15H2,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
WIYYEJQMKRBIGP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.2

> <PUBCHEM_EXACT_MASS>
310.229665576

> <PUBCHEM_MOLECULAR_FORMULA>
C22H30O

> <PUBCHEM_MOLECULAR_WEIGHT>
310.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C(CCC1)(C)C)C=CC(=C2CCC(=CC=O)CC=C2)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C(CCC1)(C)C)C=CC(=C2CCC(=CC=O)CC=C2)C

> <PUBCHEM_CACTVS_TPSA>
17.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
310.229665576

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
3

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  1
13  14  1
17  22  1

$$$$