
 BDBM50242234

 36 38  0  0  0  0  0  0  0  0999 V2000
    1.3363   -0.6316    1.1188 C   0  0  0  0  0
    2.6302   -0.6714    0.2936 C   0  0  0  0  0
    2.6189    0.1796   -0.9797 C   0  0  0  0  0
    1.5556   -0.3796   -1.8956 C   0  0  0  0  0
    1.4961   -1.7218   -1.9941 C   0  0  0  0  0
    2.3632   -2.6001   -1.1784 C   0  0  0  0  0
    2.5123   -3.7773   -1.4789 O   0  0  0  0  0
    2.9220   -2.0460   -0.0732 O   0  0  0  0  0
    0.5598    0.5207   -2.4832 C   0  0  0  0  0
    0.6397    1.8638   -2.3642 C   0  0  0  0  0
    1.8351    2.4803   -1.7391 C   0  0  0  0  0
    2.2519    3.5957   -2.0073 O   0  0  0  0  0
    2.4839    1.6467   -0.6621 C   0  0  0  0  0
    2.8892    2.1701    0.3642 O   0  0  0  0  0
   -0.3824    2.7332   -2.6941 O   0  0  0  0  0
   -1.6996    2.1558   -2.6471 C   0  0  0  0  0
   -1.7191    0.9241   -3.5548 C   0  0  0  0  0
   -0.6734   -0.0994   -3.1154 C   0  0  0  0  0
   -2.6623    3.2188   -3.1864 C   0  0  0  0  0
   -2.1007    1.8458   -1.1899 C   0  0  0  0  0
    1.1060    0.3824    1.4612 H   0  0  0  0  0
    1.4302   -1.2781    1.9983 H   0  0  0  0  0
    0.4718   -1.0076    0.5620 H   0  0  0  0  0
    3.4547   -0.3511    0.9413 H   0  0  0  0  0
    3.5849    0.0755   -1.4959 H   0  0  0  0  0
    0.7979   -2.2611   -2.6225 H   0  0  0  0  0
   -2.7118    0.4594   -3.5810 H   0  0  0  0  0
   -1.4807    1.2292   -4.5829 H   0  0  0  0  0
   -1.1455   -0.7745   -2.3899 H   0  0  0  0  0
   -0.3906   -0.7042   -3.9864 H   0  0  0  0  0
   -2.4039    3.5013   -4.2124 H   0  0  0  0  0
   -2.6011    4.1352   -2.5877 H   0  0  0  0  0
   -3.6991    2.8655   -3.1714 H   0  0  0  0  0
   -3.1213    1.4537   -1.1332 H   0  0  0  0  0
   -1.4394    1.1158   -0.7115 H   0  0  0  0  0
   -2.0379    2.7499   -0.5740 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2  8  1  0  0  0
  2 24  1  0  0  0
  3 13  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  9 10  2  0  0  0
  9 18  1  0  0  0
 10 11  1  0  0  0
 10 15  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 20  1  0  0  0
 16 19  1  0  0  0
 17 18  1  0  0  0
 17 27  1  0  0  0
 17 28  1  0  0  0
 18 29  1  0  0  0
 18 30  1  0  0  0
 19 31  1  0  0  0
 19 32  1  0  0  0
 19 33  1  0  0  0
 20 34  1  0  0  0
 20 35  1  0  0  0
 20 36  1  0  0  0
M  END

>  <Chemical Name>
BDBM50242234

>  <PubChem CID>
57265373

>  <Formula>
C15H16O5

>  <Molecular Weight>
276.288000

>  <IUPAC Name>
4,8,8-trimethyl-4,4a,9,10-tetrahydropyrano[4,3-f]chromene-2,5,6-trione

>  <XlogP>
0.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1C2C(=CC(=O)O1)C3=C(C(=O)C2=O)OC(CC3)(C)C

>  <Isomeric SMILES>
CC1C2C(=CC(=O)O1)C3=C(C(=O)C2=O)OC(CC3)(C)C

>  <InChI Std. ID>
InChI=1S/C15H16O5/c1-7-11-9(6-10(16)19-7)8-4-5-15(2,3)20-14(8)13(18)12(11)17/h6-7,11H,4-5H2,1-3H3

>  <InChI Key>
AAFKZINCWOVPRV-UHFFFAOYSA-N

