ISISHOST03240423202D 1   1.00000     0.00000  7741

 32 34  0     0  0            999 V2000
   -0.6724   -0.0310    0.0000 C   0  0  2  0  0  0           0  0  0
   -1.3931   -0.4414    0.0000 C   0  0  2  0  0  0           0  0  0
    0.0414   -0.4483    0.0000 C   0  0  1  0  0  0           0  0  0
   -0.6655    0.7966    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3966   -1.2690    0.0000 C   0  0  2  0  0  0           0  0  0
   -2.1103   -0.0276    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.4000    0.3897    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0414   -1.2759    0.0000 C   0  0  2  0  0  0           0  0  0
    0.7621   -0.0448    0.0000 C   0  0  2  0  0  0           0  0  0
    0.0552    1.2034    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.1103   -1.6862    0.0000 C   0  0  2  0  0  0           0  0  0
   -0.6793   -1.6897    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.8241   -0.4414    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7552   -1.6897    0.0000 O   0  0  0  0  0  0           0  0  0
    0.7690    0.7828    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4759   -0.4552    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.8241   -1.2690    0.0000 C   0  0  2  0  0  0           0  0  0
   -2.1138   -2.5103    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.7000   -2.2690    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4862    1.1931    0.0000 C   0  0  0  0  0  0           0  0  0
   -3.5448   -1.6828    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.3966   -2.9241    0.0000 O   0  0  0  0  0  0           0  0  0
    1.4897    2.0172    0.0000 C   0  0  0  0  0  0           0  0  0
    2.2069    2.4310    0.0000 O   0  0  0  0  0  0           0  0  0
    0.7690    2.4310    0.0000 O   0  0  0  0  0  0           0  0  0
    2.9241    2.0207    0.0000 C   0  0  0  0  0  0           0  0  0
    3.6379    2.4345    0.0000 C   0  0  0  0  0  0           0  0  0
    4.3552    2.0241    0.0000 N   0  0  0  0  0  0           0  0  0
    5.0690    2.4379    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6793   -0.8586    0.0000 H   0  0  0  0  0  0           0  0  0
    0.0345    0.3828    0.0000 H   0  0  0  0  0  0           0  0  0
   -1.4034   -2.0966    0.0000 H   0  0  0  0  0  0           0  0  0
  1  2  1  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
  2  7  1  1     0  0
  3  8  1  0     0  0
  3  9  1  0     0  0
  4 10  1  0     0  0
  5 11  1  0     0  0
  5 12  1  0     0  0
  6 13  1  0     0  0
  8 14  1  1     0  0
  9 15  1  0     0  0
  9 16  1  6     0  0
 11 17  1  0     0  0
 11 18  1  1     0  0
 11 19  1  6     0  0
 15 20  2  0     0  0
 17 21  1  1     0  0
 18 22  2  0     0  0
 20 23  1  0     0  0
 23 24  1  0     0  0
 23 25  2  0     0  0
 24 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
  8 12  1  0     0  0
 10 15  1  0     0  0
 13 17  1  0     0  0
  1 30  1  6     0  0
  3 31  1  1     0  0
  5 32  1  6     0  0
M  END
> <ID>
CHEBI:7626

> <NAME>
Norerythrostachaldine

> <STAR>
2

> <SYNONYM>
Norerythrostachaldine

> <FORMULA>
C23H37NO5

> <MASS>
407.544

> <MONOISOTOPIC_MASS>
407.26717

> <CHARGE>
0

> <SMILES>
CNCCOC(=O)\C=C1/CC[C@H]2[C@@H]([C@@H](O)C[C@@H]3[C@]2(C)CC[C@H](O)[C@]3(C)C=O)[C@H]1C

> <INCHI>
InChI=1S/C23H37NO5/c1-14-15(11-20(28)29-10-9-24-4)5-6-16-21(14)17(26)12-18-22(16,2)8-7-19(27)23(18,3)13-25/h11,13-14,16-19,21,24,26-27H,5-10,12H2,1-4H3/b15-11+/t14-,16-,17-,18+,19-,21-,22+,23+/m0/s1

> <INCHIKEY>
UYLBTGMINJIZAG-PQTOTZOPSA-N

> <CAS_REGISTRY_NUMBER>
55729-25-4

> <KEGG_COMPOUND_ACCESSION>
C08701

> <KNAPSACK_ACCESSION>
C00001657

$$$$