CDK     1030232201

 24 28  0  0  0  0  0  0  0  0999 V2000
    0.6092    0.1326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0084   -0.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0756   -1.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6403   -1.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7227   -1.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0681   -0.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7144   -2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4589   -1.3496    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7144   -2.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7901   -0.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0242   -1.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5561   -1.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.8874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.6499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6105   -1.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9207   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  4  2  1  0  0  0  0 
  3  5  2  0  0  0  0 
  3  6  1  0  0  0  0 
  4  7  1  1  0  0  0 
  4  8  1  0  0  0  0 
  9  4  1  0  0  0  0 
  5 10  1  0  0  0  0 
 11  5  1  0  0  0  0 
  6 12  2  0  0  0  0 
  8 13  1  0  0  0  0 
  8 14  2  0  0  0  0 
  9 15  1  0  0  0  0 
 10 16  1  0  0  0  0 
 10 17  2  0  0  0  0 
 11 18  1  6  0  0  0 
 13 19  2  0  0  0  0 
 13 20  1  0  0  0  0 
 14 21  1  0  0  0  0 
 14 22  1  0  0  0  0 
 23 20  1  0  0  0  0 
 23 24  1  1  0  0  0 
  7  9  1  0  0  0  0 
  9 11  1  6  0  0  0 
 12 17  1  0  0  0  0 
 15 22  1  0  0  0  0 
 21 23  1  0  0  0  0 
M  END
> <ID>
CHEBI:212362

> <NAME>
Cangumycin C

> <STAR>
2

> <IUPAC_NAME>
(1S,5S,10S,11S)-11,13-dihydroxy-5-methyl-19-oxapentacyclo[8.8.1.01,10.02,7.012,17]nonadeca-2(7),12(17),13,15-tetraene-3,18-dione

> <FORMULA>
C19H18O5

> <MASS>
326.348

> <MONOISOTOPIC_MASS>
326.11542

> <CHARGE>
0

> <SMILES>
O=C1C2=C(C(O)=CC=C2)[C@H](O)[C@@]34[C@@]1(O3)C=5C(=O)C[C@@H](C)CC5CC4

> <INCHI>
InChI=1S/C19H18O5/c1-9-7-10-5-6-18-17(23)14-11(3-2-4-12(14)20)16(22)19(18,24-18)15(10)13(21)8-9/h2-4,9,17,20,23H,5-8H2,1H3/t9-,17-,18-,19+/m0/s1

> <INCHIKEY>
NNMGLXNJGVNRCH-KUAJCHEXSA-N

$$$$