35 39  0  0  1  0  0  0  0  0999 V2000
   31.2900  -20.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2900  -22.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5024  -22.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7149  -22.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7149  -20.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0776  -22.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0776  -24.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2900  -25.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5024  -24.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8651  -22.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6527  -22.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6527  -24.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8651  -25.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4403  -25.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4403  -26.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6527  -27.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8651  -26.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2278  -24.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0154  -25.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0154  -26.4600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2278  -27.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6935  -28.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7021  -28.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7989  -27.1623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6014  -26.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4542  -27.8600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.4647  -23.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8410  -23.6600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.0776  -25.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0776  -21.5602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2900  -23.6600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.9460  -22.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1512  -22.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.9457  -24.3599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6926  -23.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  1  5  1  0     0  0
  2  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  3  9  1  0     0  0
  6 10  1  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
  7 13  1  0     0  0
 12 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 13 17  1  0     0  0
 14 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 15 21  1  0     0  0
 21 22  1  0     0  0
 21 23  1  0     0  0
 20 24  1  1     0  0
 24 25  1  0     0  0
 15 26  1  6     0  0
 14 27  1  1     0  0
 13 28  1  1     0  0
  7 29  1  6     0  0
  6 30  1  1     0  0
  2 31  1  6     0  0
  4 32  1  1     0  0
 32 33  1  0     0  0
 32 34  1  0     0  0
  3 35  1  1     0  0
M  END
> <ID>
CHEBI:81166

> <NAME>
Cylindrin

> <STAR>
2

> <FORMULA>
C31H52O

> <MASS>
440.74400

> <MONOISOTOPIC_MASS>
440.40182

> <CHARGE>
0

> <SMILES>
CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3C2=CC[C@]2(C)[C@H]4CC[C@@H](C(C)C)[C@]4(C)CC[C@@]32C)C1(C)C

> <INCHI>
InChI=1S/C31H52O/c1-20(2)21-10-13-25-29(21,6)18-19-30(7)23-11-12-24-27(3,4)26(32-9)15-16-28(24,5)22(23)14-17-31(25,30)8/h14,20-21,23-26H,10-13,15-19H2,1-9H3/t21-,23+,24-,25-,26-,28+,29-,30-,31+/m0/s1

> <INCHIKEY>
MRNPHCMRIQYRFU-UWAWSDATSA-N

> <KEGG_COMPOUND_ACCESSION>
C17534

$$$$