167995182
  -OEChem-04292400152D

 36 39  0     1  0  0  0  0  0999 V2000
    3.8059   -2.0618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2198   -0.1158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4799   -1.3759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4774    2.9418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7198   -1.6547    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.9108   -1.0669    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2198   -0.1158    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5119   -2.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5288   -1.0669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766    0.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4904    0.3527    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5608   -2.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5874    1.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2824   -0.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8177   -2.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0256   -1.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6766    1.9619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4569    2.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5605   -1.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3043   -0.9379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4420    0.4630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5982   -3.2468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1315   -2.6544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8774    0.2592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0722   -3.3235    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8519   -3.4892    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7076   -0.3932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9539   -1.1512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2280   -2.4643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7631    1.5024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961    2.3477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1508    2.5807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6468   -1.6928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1745   -0.9925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4742   -0.4649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3 12  1  0  0  0  0
  3 18  1  0  0  0  0
  4 10  2  0  0  0  0
  5 18  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7  8  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
  9 13  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  2  0  0  0  0
 12 15  1  0  0  0  0
 12 25  1  0  0  0  0
 13 16  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 17  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  2  0  0  0  0
 16 30  1  0  0  0  0
 17 20  1  0  0  0  0
 19 31  1  0  0  0  0
 19 32  1  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
167995182

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
587

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBwOAAAAAAAAAAAAAAAEgAAASIAAAAkAAAAAAAAAACAAAAAGgAAAAAADFSggAICCAAABACIAiDSCAIAAAAgAAAACAFAAEgBBBYAIQQCEAAF4AAKIQPK6PyOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4Z)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.01,13.07,11]hexadeca-4,10-diene-9,15-dione

> <PUBCHEM_IUPAC_CAS_NAME>
(4Z)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.01,13.07,11]hexadeca-4,10-diene-9,15-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
(4<I>Z</I>)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.0<SUP>1,13</SUP>.0<SUP>7,11</SUP>]hexadeca-4,10-diene-9,15-dione

> <PUBCHEM_IUPAC_NAME>
(4Z)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.01,13.07,11]hexadeca-4,10-diene-9,15-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4Z)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.01,13.07,11]hexadeca-4,10-diene-9,15-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4Z)-5,10-dimethyl-8,14,16-trioxatetracyclo[10.2.2.01,13.07,11]hexadeca-4,10-diene-9,15-quinone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H16O5/c1-7-4-3-5-15-12(20-15)11(19-14(15)17)10-8(2)13(16)18-9(10)6-7/h4,9,11-12H,3,5-6H2,1-2H3/b7-4-

> <PUBCHEM_IUPAC_INCHIKEY>
CVZMILBWBVELOQ-DAXSKMNVSA-N

> <PUBCHEM_XLOGP3_AA>
0.7

> <PUBCHEM_EXACT_MASS>
276.09977361

> <PUBCHEM_MOLECULAR_FORMULA>
C15H16O5

> <PUBCHEM_MOLECULAR_WEIGHT>
276.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CCCC23C(O2)C(C4=C(C(=O)OC4C1)C)OC3=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C/C/1=C/CCC23C(O2)C(C4=C(C(=O)OC4C1)C)OC3=O

> <PUBCHEM_CACTVS_TPSA>
65.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
276.09977361

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
7  1  3
12  15  3
8  2  3
6  9  3

$$$$
