HMDB0251931
     RDKit          3D
Erythrocentaurin
 21 22  0  0  0  0  0  0  0  0999 V2000
    2.0068   -3.1058   -0.0964 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9441   -2.4414   -0.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0447   -0.9900   -0.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2419   -0.3971    0.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3431    0.9659    0.4529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2141    1.7486    0.3323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0218    1.1888    0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0942   -0.1723   -0.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3832   -0.7754   -0.4978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5093    0.0070    0.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4000    1.3547   -0.3619 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2081    2.0507   -0.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1552    3.2760    0.0857 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0781   -2.9819   -0.5014 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1245   -1.0434    0.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3031    1.4366    0.6943 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2819    2.8160    0.4757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4974   -1.8448   -0.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4633   -0.6842   -1.6255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4514   -0.4418   -0.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3983    0.0335    1.2099 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
  8  3  1  0
 12  7  1  0
  2 14  1  0
  4 15  1  0
  5 16  1  0
  6 17  1  0
  9 18  1  0
  9 19  1  0
 10 20  1  0
 10 21  1  0
M  END