39 44  0  0  1  0  0  0  0  0999 V2000
   28.7000  -20.9300    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.5800  -21.6300    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   28.7000  -19.6000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   31.0800  -20.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3900  -20.9300    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.5800  -22.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8900  -18.9000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   27.5800  -18.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7000  -18.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0800  -19.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2000  -21.6300    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.3900  -19.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3900  -23.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8900  -17.5700    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.2000  -22.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0800  -20.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2000  -20.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0800  -16.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7000  -16.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0800  -23.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8900  -21.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2700  -17.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8900  -22.9600    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   33.5300  -16.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7200  -17.5700    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   35.9100  -16.8700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7200  -19.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7000  -22.2600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.5800  -20.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.3900  -22.3300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.3600  -18.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.2000  -24.3600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4651  -21.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4651  -22.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6776  -23.6600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.2527  -20.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0403  -21.6300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0403  -22.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2527  -23.6600    0.0000 C   0  0  0  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
  3  7  1  0     0  0
  3  8  1  0     0  0
  3  9  1  1     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
  7 14  1  0     0  0
 11 15  1  0     0  0
 11 16  1  0     0  0
 11 17  1  1     0  0
 14 18  1  0     0  0
 14 19  1  6     0  0
 15 20  1  0     0  0
 16 21  1  0     0  0
 18 22  1  0     0  0
 20 23  1  0     0  0
 22 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 25 27  1  0     0  0
  7 10  1  0     0  0
  8 12  1  0     0  0
 13 15  1  0     0  0
 21 23  2  0     0  0
  1 28  1  6     0  0
  2 29  1  1     0  0
  5 30  1  6     0  0
  7 31  1  6     0  0
 15 32  1  6     0  0
 21 33  1  0     0  0
 33 34  2  0     0  0
 34 35  1  0     0  0
 23 35  1  0     0  0
 33 36  1  0     0  0
 36 37  2  0     0  0
 37 38  1  0     0  0
 38 39  2  0     0  0
 34 39  1  0     0  0
M  END
> <ID>
CHEBI:79943

> <NAME>
1'H-5alpha-Cholest-2-eno[3,2-b]indole

> <STAR>
2

> <FORMULA>
C33H49N

> <MASS>
459.74890

> <MONOISOTOPIC_MASS>
459.38650

> <CHARGE>
0

> <SMILES>
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4Cc5[nH]c6ccccc6c5C[C@]4(C)[C@H]3CC[C@]12C

> <INCHI>
InChI=1S/C33H49N/c1-21(2)9-8-10-22(3)27-15-16-28-25-14-13-23-19-31-26(24-11-6-7-12-30(24)34-31)20-33(23,5)29(25)17-18-32(27,28)4/h6-7,11-12,21-23,25,27-29,34H,8-10,13-20H2,1-5H3/t22-,23+,25+,27-,28+,29+,32-,33+/m1/s1

> <INCHIKEY>
UJPMSSIEJPGKGY-YHPMGPRQSA-N

> <KEGG_COMPOUND_ACCESSION>
C15445

$$$$