38 43  0  0  1  0  0  0  0  0999 V2000
   25.3999  -19.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3999  -20.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5868  -21.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7738  -20.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7738  -19.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5868  -18.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0306  -21.3073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.2176  -20.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2176  -19.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0306  -18.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1430  -18.5144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.9561  -19.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9561  -20.6090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7691  -18.5144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.7691  -17.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5123  -16.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3253  -17.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3253  -18.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5123  -19.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1383  -16.4197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5443  -21.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3821  -19.9108    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.5443  -18.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7088  -19.9108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4070  -21.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7786  -22.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3123  -22.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4768  -23.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8733  -23.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.5017  -22.2848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.8034  -21.0978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4070  -18.6540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.5715  -24.7286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0306  -17.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7738  -16.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0803  -23.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4768  -24.9380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.3821  -24.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  1  6  1  0     0  0
  4  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
  5 10  1  0     0  0
  1 11  1  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 12 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 14 19  1  0     0  0
 17 20  1  0     0  0
  8 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
  9 23  1  0     0  0
 22 24  1  0     0  0
 24 25  1  0     0  0
 25 26  2  0     0  0
 26 27  1  0     0  0
 26 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 25 31  1  0     0  0
 27 21  2  0     0  0
 24 32  2  0     0  0
 29 33  2  0     0  0
 10 34  1  0     0  0
 34 35  1  0     0  0
 28 36  1  6     0  0
 28 37  1  1     0  0
 36 38  1  0     0  0
M  END
> <ID>
CHEBI:80552

> <NAME>
NPC

> <STAR>
2

> <FORMULA>
C28H30N4O6

> <MASS>
518.56100

> <MONOISOTOPIC_MASS>
518.21653

> <CHARGE>
0

> <SMILES>
CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(N)CC3)cc12

> <INCHI>
InChI=1S/C28H30N4O6/c1-3-17-18-11-16(38-27(35)31-9-7-15(29)8-10-31)5-6-22(18)30-24-19(17)13-32-23(24)12-21-20(25(32)33)14-37-26(34)28(21,36)4-2/h5-6,11-12,15,36H,3-4,7-10,13-14,29H2,1-2H3/t28-/m0/s1

> <INCHIKEY>
APWFTHDYKJHNEV-NDEPHWFRSA-N

> <KEGG_COMPOUND_ACCESSION>
C16543

$$$$