5353864
  -OEChem-04192403052D

 38 40  0     1  0  0  0  0  0999 V2000
    6.4810    2.4456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7163    2.3220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2727    1.4670    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5296    2.1362    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5785    1.8271    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3706    0.8490    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0648    0.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0158    0.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1137    0.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8079   -0.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3817    0.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9058   -0.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9782    1.6561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6000   -1.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6490   -1.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8802   -0.1175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4411   -2.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3379    2.7258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6425    2.4438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1782    0.2596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4899    0.7211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7362   -0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6010    0.3372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4766    0.3830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4307    1.2586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6886   -0.0524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4423    0.7057    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3828   -0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1365    0.3455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3310   -0.5660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5773   -1.3241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0608   -1.5733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2602   -0.1164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1893   -0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8346   -2.3166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122   -3.0520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0475   -2.5745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 14  1  0  0  0  0
  3 14  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 21  1  0  0  0  0
  8 11  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 13  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 15  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 14  1  0  0  0  0
 12 17  2  0  0  0  0
 13 16  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 18  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5353864

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
437

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwMAAAAAAAAAAAAAAAEgAAASAAAAAAAAAAAAAAAACAAAAAGgAAAAAADVSggAICCAAABACIAiDSCAAAAAAgAAAACAEAAEgBBBIAIQACAAAFwAAKIIOK7OzOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(7Z)-4,8-dimethyl-12-methylene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one

> <PUBCHEM_IUPAC_CAS_NAME>
(7Z)-4,8-dimethyl-12-methylene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
(7<I>Z</I>)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.0<SUP>2,4</SUP>]tetradec-7-en-13-one

> <PUBCHEM_IUPAC_NAME>
(7Z)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(7Z)-4,8-dimethyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(7Z)-4,8-dimethyl-12-methylene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-

> <PUBCHEM_IUPAC_INCHIKEY>
KTEXNACQROZXEV-UITAMQMPSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
248.14124450

> <PUBCHEM_MOLECULAR_FORMULA>
C15H20O3

> <PUBCHEM_MOLECULAR_WEIGHT>
248.32

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C/C/1=C/CCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C

> <PUBCHEM_CACTVS_TPSA>
38.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
248.14124450

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
4

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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>
5  1  3
6  2  3
4  9  3
7  10  3

$$$$