32 38  0  0  1  0  0  0  0  0999 V2000
   20.7900  -22.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.9800  -23.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.6000  -23.1000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.7900  -21.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9800  -21.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1700  -22.4000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.9800  -24.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4200  -24.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6000  -24.4300    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.9700  -21.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6700  -20.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0500  -20.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3600  -21.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3600  -23.1000    0.0000 N   0  0  2  0  0  0  0  0  0  0  0  0
   23.2400  -21.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7900  -25.1300    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.2300  -23.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6700  -18.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0500  -18.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5500  -22.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8600  -18.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4800  -18.2700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.7400  -23.1700    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   27.4400  -24.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1400  -23.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0900  -26.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4900  -26.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8900  -26.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7900  -27.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1900  -27.5100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2200  -24.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4100  -25.1300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  1     0  0
  2  6  1  0     0  0
  2  7  1  0     0  0
  2  8  1  6     0  0
  3  9  1  0     0  0
  3 10  1  6     0  0
  4 11  1  0     0  0
  4 12  2  0     0  0
  5 13  1  0     0  0
  6 14  1  1     0  0
  6 15  1  0     0  0
  7 16  1  0     0  0
  8 17  1  0     0  0
 11 18  2  0     0  0
 12 19  1  0     0  0
 14 20  1  0     0  0
 18 21  1  0     0  0
 18 22  1  0     0  0
  9 16  1  0     0  0
  9 17  1  6     0  0
 10 11  1  0     0  0
 12 15  1  0     0  0
 14 13  1  1     0  0
 19 21  2  0     0  0
  1  2  1  0     0  0
 20 23  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
 23 24  1  0     0  0
 23 25  1  0     0  0
 25 24  1  0     0  0
 16 26  1  1     0  0
 16 27  1  0     0  0
 27 28  1  0     0  0
 27 29  1  0     0  0
 27 30  1  0     0  0
 31 32  1  0     0  0
 32  9  1  0     0  0
M  END
> <ID>
CHEBI:4650

> <NAME>
Diprenorphine

> <STAR>
2

> <SYNONYM>
Diprenorphine

> <FORMULA>
C26H35NO4

> <MASS>
425.561

> <MONOISOTOPIC_MASS>
425.25661

> <CHARGE>
0

> <SMILES>
CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45

> <INCHI>
InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1

> <INCHIKEY>
OIJXLIIMXHRJJH-KNLIIKEYSA-N

> <CAS_REGISTRY_NUMBER>
14357-78-9

> <KEGG_COMPOUND_ACCESSION>
C11794

> <KEGG_DRUG_ACCESSION>
D07863

$$$$