ISISHOST06280423302D 1   1.00000     0.00000 14476

 23 26  0     1  0            999 V2000
   18.3875  -18.8277    0.0000 C   0  0  1  0  0  0           0  0  0
   19.0978  -19.2346    0.0000 C   0  0  2  0  0  0           0  0  0
   18.3806  -18.0105    0.0000 C   0  0  1  0  0  0           0  0  0
   19.1323  -20.0243    0.0000 N   0  0  3  0  0  0           0  0  0
   19.8151  -18.7967    0.0000 C   0  0  0  0  0  0           0  0  0
   19.0841  -17.5967    0.0000 C   0  0  2  0  0  0           0  0  0
   17.6565  -17.5898    0.0000 O   0  0  0  0  0  0           0  0  0
   18.4116  -20.4484    0.0000 C   0  0  0  0  0  0           0  0  0
   20.1254  -20.1174    0.0000 C   0  0  0  0  0  0           0  0  0
   19.7978  -17.9967    0.0000 C   0  0  0  0  0  0           0  0  0
   20.4496  -19.3449    0.0000 C   0  0  0  0  0  0           0  0  0
   19.0737  -16.7518    0.0000 O   0  0  0  0  0  0           0  0  0
   18.3909  -19.6587    0.0000 H   0  0  0  0  0  0           0  0  0
   19.0910  -18.4346    0.0000 H   0  0  0  0  0  0           0  0  0
   17.7013  -20.0518    0.0000 C   0  0  0  0  0  0           0  0  0
   17.6974  -19.2459    0.0000 C   0  0  0  0  0  0           0  0  0
   16.9974  -18.8463    0.0000 C   0  0  0  0  0  0           0  0  0
   16.3014  -19.2527    0.0000 C   0  0  0  0  0  0           0  0  0
   16.3053  -20.0587    0.0000 C   0  0  0  0  0  0           0  0  0
   17.0053  -20.4582    0.0000 C   0  0  0  0  0  0           0  0  0
   15.5849  -18.8437    0.0000 O   0  0  0  0  0  0           0  0  0
   15.5929  -20.4746    0.0000 O   0  0  0  0  0  0           0  0  0
   14.8764  -20.0656    0.0000 C   0  0  0  0  0  0           0  0  0
  4  9  1  0     0  0
  5 10  2  0     0  0
  5 11  1  0     0  0
  6 12  1  1     0  0
 15  8  1  0     0  0
  6 10  1  0     0  0
  9 11  1  0     0  0
  1 13  1  1     0  0
  2 14  1  6     0  0
  1  2  1  0     0  0
  1 16  1  0     0  0
  1  3  1  0     0  0
  2  4  1  0     0  0
  2  5  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
 20 15  1  0     0  0
  3  6  1  0     0  0
 18 21  1  0     0  0
  3  7  1  6     0  0
 19 22  1  0     0  0
  4  8  1  0     0  0
 22 23  1  0     0  0
M  END
> <ID>
CHEBI:32074

> <NAME>
Pseudolycorine

> <STAR>
2

> <SYNONYM>
Pseudolycorine

> <FORMULA>
C16H19NO4

> <MASS>
289.327

> <MONOISOTOPIC_MASS>
289.13141

> <CHARGE>
0

> <SMILES>
COc1cc2CN3CCC4=C[C@H](O)[C@@H](O)[C@H]([C@H]34)c2cc1O

> <INCHI>
InChI=1S/C16H19NO4/c1-21-13-5-9-7-17-3-2-8-4-12(19)16(20)14(15(8)17)10(9)6-11(13)18/h4-6,12,14-16,18-20H,2-3,7H2,1H3/t12-,14-,15+,16+/m0/s1

> <INCHIKEY>
CKAHWDNDUGDSLE-ARLBYUKCSA-N

> <CAS_REGISTRY_NUMBER>
29429-03-6

> <KEGG_COMPOUND_ACCESSION>
C12187

> <KNAPSACK_ACCESSION>
C00024433

$$$$