1242618
  -OEChem-05052412372D

 39 41  0     0  0  0  0  0  0999 V2000
    8.8435   -0.8813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3134   -0.9054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5756   -0.8813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3076    1.1187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4416   -0.3813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4807   -1.9070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4416    0.5912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8435    1.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9775    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7096    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9775   -0.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5756    1.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0836    1.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7096   -0.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8435    2.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0836   -0.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1775   -0.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1775    0.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4416    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4455   -0.4088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5814   -0.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6663   -0.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1737    0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.2546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5033   -2.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9741    1.5937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1771    1.5937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0907    1.7733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4635    2.1187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8435    2.7387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2235    2.1187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0907   -1.5359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6418    0.9516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5350    0.0970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8637    0.0818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7106    0.3087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4837    1.1556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3832   -1.1922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2533   -2.6861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 14  1  0  0  0  0
  2 17  1  0  0  0  0
  2 20  1  0  0  0  0
  3 14  2  0  0  0  0
  4 19  1  0  0  0  0
  4 23  1  0  0  0  0
  5 19  2  0  0  0  0
  6 21  1  0  0  0  0
  6 25  1  0  0  0  0
  7 20  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 15  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 16  1  0  0  0  0
 12 19  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 18  2  0  0  0  0
 13 28  1  0  0  0  0
 15 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  2  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 18 33  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 24  1  0  0  0  0
 22 34  1  0  0  0  0
 23 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 25  2  0  0  0  0
 24 38  1  0  0  0  0
 25 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1242618

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
594

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB4OAAAAAAAAAAAAAAAAAAAASAAAAAwQAAAAAAAAACBwAAAGgAAAAAADASgmAIyDoAABECIAqjSiAICCAAkIAAIiAFGCMgNJzKENR6COyClwBUKqYfL5qwOIAAACAAIAABAAAAQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[3-(2-methoxy-2-oxo-ethyl)-4-methyl-2-oxo-chromen-7-yl] furan-2-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
2-furancarboxylic acid [3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-1-benzopyran-7-yl] ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
[3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-7-yl] furan-2-carboxylate

> <PUBCHEM_IUPAC_NAME>
[3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-7-yl] furan-2-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-2-oxidanylidene-chromen-7-yl] furan-2-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
furan-2-carboxylic acid [2-keto-3-(2-keto-2-methoxy-ethyl)-4-methyl-chromen-7-yl] ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H14O7/c1-10-12-6-5-11(24-18(21)14-4-3-7-23-14)8-15(12)25-17(20)13(10)9-16(19)22-2/h3-8H,9H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
LAVPDZBAUFLVSF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
342.07395278

> <PUBCHEM_MOLECULAR_FORMULA>
C18H14O7

> <PUBCHEM_MOLECULAR_WEIGHT>
342.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=CO3)CC(=O)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=CO3)CC(=O)OC

> <PUBCHEM_CACTVS_TPSA>
92

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
342.07395278

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <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>
1  11  8
1  14  8
10  14  8
11  16  8
13  18  8
16  17  8
17  18  8
21  22  8
22  24  8
24  25  8
6  21  8
6  25  8
8  10  8
8  9  8
9  11  8
9  13  8

$$$$