HMDB0035291
     RDKit          3D
Isoplumbagin
 22 23  0  0  0  0  0  0  0  0999 V2000
   -3.4780    0.1251   -0.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0375   -0.2236   -0.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6920   -1.5001   -0.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2763   -1.9010    0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0742   -3.1069    0.0509 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7930   -0.8933    0.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1237   -1.2533    0.1141 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1277   -0.2998    0.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7765    1.0349    0.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4435    1.3849    0.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0667    2.7121   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4357    0.4274    0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9684    0.7671   -0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2791    1.9856   -0.0954 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6251    1.2177   -0.2851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9965   -0.3843   -1.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9509   -0.1411    0.8194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4148   -2.3063   -0.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3773   -2.3098    0.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1731   -0.5801    0.1968 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5581    1.8048    0.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7691    3.4399    0.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  2  0
 13  2  1  0
 12  6  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  3 18  1  0
  7 19  1  0
  8 20  1  0
  9 21  1  0
 11 22  1  0
M  END