Marvin  07230718402D          

 28 33  0  0  1  0            999 V2000
   -0.7846    0.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7846    0.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2695    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1202   -0.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846    1.9049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846    1.9049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0900    1.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9407   -0.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0396    2.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4256    0.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7846   -0.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7846   -0.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1202    0.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846   -1.9049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846   -1.9049    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2695   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0900   -1.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9407    0.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0396   -2.6896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4256   -0.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 14  1  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
 14  2  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 13  1  1  0  0  0
 14  3  1  6  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4  6  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  9 12  2  0  0  0  0
 10 12  1  0  0  0  0
 28 15  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 28 16  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
 16 27  1  1  0  0  0
 28 17  1  6  0  0  0
 17 22  1  0  0  0  0
 18 23  1  0  0  0  0
 18 20  1  0  0  0  0
 19 24  2  0  0  0  0
 21 25  1  0  0  0  0
 21 22  1  0  0  0  0
 23 26  2  0  0  0  0
 24 26  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
> <ID>
CHEBI:38953

> <NAME>
(+)-chimonanthine

> <DEFINITION>
The (3aR,3a'R,8aR,8a'R)-stereoisomer of chimonanthine.

> <STAR>
3

> <IUPAC_NAME>
(3aR,3a'R,8aR,8a'R)-1,1'-dimethyl-2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo[2,3-b]indole

> <FORMULA>
C22H26N4

> <MASS>
346.46880

> <MONOISOTOPIC_MASS>
346.21575

> <CHARGE>
0

> <SMILES>
[H][C@]12Nc3ccccc3[C@]1(CCN2C)[C@]12CCN(C)[C@@]1([H])Nc1ccccc21

> <INCHI>
InChI=1S/C22H26N4/c1-25-13-11-21(15-7-3-5-9-17(15)23-19(21)25)22-12-14-26(2)20(22)24-18-10-6-4-8-16(18)22/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20-,21+,22+/m1/s1

> <INCHIKEY>
HOYXPMHLHJOGHD-CZYKHXBRSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
578995

$$$$