ISISHOST03240423232D 1   1.00000     0.00000  8633

 32 34  0     0  0            999 V2000
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   -1.7172    0.1241    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0035    1.3690    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2897    0.1276    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4379    0.5414    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.7207   -0.7034    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.7172    1.7828    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2897    1.7828    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.2897   -0.6966    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4379    1.3690    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.2310    0.2828    0.0000 O   0  0  0  0  0  0           0  0  0
   -2.4448   -1.1103    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4241    1.3724    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4241   -1.1069    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0103   -1.1069    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.2276    1.6276    0.0000 O   0  0  0  0  0  0           0  0  0
   -3.7172    0.9586    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1414    1.7862    0.0000 N   0  0  3  0  0  0           0  0  0
    1.1448   -0.6966    0.0000 C   0  0  0  0  0  0           0  0  0
    0.4207   -1.9345    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8552    1.3759    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1345    2.6138    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8621   -1.1138    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1414    0.1310    0.0000 C   0  0  0  0  0  0           0  0  0
    1.1345   -2.3552    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8552   -1.9414    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5724   -0.7034    0.0000 O   0  0  0  0  0  0           0  0  0
    1.8552    0.5483    0.0000 O   0  0  0  0  0  0           0  0  0
    0.4207    0.5483    0.0000 O   0  0  0  0  0  0           0  0  0
    2.5690   -2.3552    0.0000 O   0  0  0  0  0  0           0  0  0
    3.2897   -1.1138    0.0000 C   0  0  0  0  0  0           0  0  0
    3.2862   -1.9448    0.0000 C   0  0  0  0  0  0           0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  2  0     0  0
  3  8  1  0     0  0
  4  9  1  0     0  0
  5 10  2  0     0  0
  5 11  1  0     0  0
  6 12  1  0     0  0
  8 13  1  0     0  0
  9 14  1  0     0  0
  9 15  2  0     0  0
 10 16  1  0     0  0
 11 17  1  0     0  0
 13 18  1  0     0  0
 14 19  2  0     0  0
 14 20  1  0     0  0
 18 21  1  0     0  0
 18 22  1  0     0  0
 19 23  1  0     0  0
 19 24  1  0     0  0
 20 25  2  0     0  0
 23 26  2  0     0  0
 23 27  1  0     0  0
 24 28  1  0     0  0
 24 29  2  0     0  0
 26 30  1  0     0  0
 27 31  1  0     0  0
 30 32  1  0     0  0
  7 10  1  0     0  0
 16 17  1  0     0  0
 25 26  1  0     0  0
M  END
> <ID>
CHEBI:7480

> <NAME>
Narceine

> <STAR>
2

> <SYNONYM>
Narceine

> <FORMULA>
C23H27NO8

> <MASS>
445.463

> <MONOISOTOPIC_MASS>
445.17367

> <CHARGE>
0

> <SMILES>
COc1ccc(C(=O)Cc2c(CCN(C)C)cc3OCOc3c2OC)c(C(O)=O)c1OC

> <INCHI>
InChI=1S/C23H27NO8/c1-24(2)9-8-13-10-18-22(32-12-31-18)20(29-4)15(13)11-16(25)14-6-7-17(28-3)21(30-5)19(14)23(26)27/h6-7,10H,8-9,11-12H2,1-5H3,(H,26,27)

> <INCHIKEY>
DEXMFYZAHXMZNM-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
131-28-2

> <KEGG_COMPOUND_ACCESSION>
C09591

> <KNAPSACK_ACCESSION>
C00001890

$$$$