36 37  0  0  1  0  0  0  0  0999 V2000
   19.2500  -26.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2500  -27.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4400  -28.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7000  -27.7200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4400  -25.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7000  -23.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4400  -24.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0800  -23.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0800  -22.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8900  -21.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7000  -22.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0800  -26.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3400  -25.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3400  -24.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8900  -28.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0800  -27.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5100  -21.4200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4400  -29.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2500  -30.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8900  -29.8900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.4600  -26.3200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8900  -24.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8900  -20.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0600  -28.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4600  -23.5200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8600  -23.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5600  -24.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9600  -24.7100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6600  -23.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9600  -22.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5600  -22.2600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.6600  -21.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6600  -25.9700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.8600  -25.9700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.9900  -25.9700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9600  -27.1600    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
  1  5  2  0     0  0
  6  7  2  0     0  0
  5  7  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
  6 11  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14  8  1  0     0  0
  4 15  1  0     0  0
 15 16  1  0     0  0
 12 16  2  0     0  0
 11 17  2  0     0  0
  3 18  1  6     0  0
 18 19  1  0     0  0
 15 20  2  0     0  0
 13 21  1  1     0  0
  8 22  1  1     0  0
 10 23  1  6     0  0
  2 24  1  1     0  0
 14 25  1  6     0  0
 26 25  1  6     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 26  1  0     0  0
 27 26  1  0     0  0
 30 32  1  6     0  0
 28 33  1  6     0  0
 27 34  1  1     0  0
 33 35  1  0     0  0
 33 36  1  0     0  0
M  END
> <ID>
CHEBI:80020

> <NAME>
Mycinamicin VIII

> <STAR>
2

> <FORMULA>
C29H47NO6

> <MASS>
505.68660

> <MONOISOTOPIC_MASS>
505.34034

> <CHARGE>
0

> <SMILES>
CC[C@H]1OC(=O)\C=C\[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)C[C@@H](C)C(=O)\C=C\C=C\[C@@H]1C

> <INCHI>
InChI=1S/C29H47NO6/c1-9-25-18(2)12-10-11-13-24(31)20(4)16-21(5)28(19(3)14-15-26(32)35-25)36-29-27(33)23(30(7)8)17-22(6)34-29/h10-15,18-23,25,27-29,33H,9,16-17H2,1-8H3/b12-10+,13-11+,15-14+/t18-,19-,20+,21-,22+,23-,25+,27+,28+,29-/m0/s1

> <INCHIKEY>
XUBWLMQSFCTODE-UCOIGXIWSA-N

> <KEGG_COMPOUND_ACCESSION>
C15684

> <KNAPSACK_ACCESSION>
C00017560

$$$$