23 26  0  0  1  0  0  0  0  0999 V2000
   25.9114  -16.4754    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.0952  -15.7914    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   23.5799  -16.4745    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.7479  -15.7885    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.3944  -15.7885    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.4002  -17.1666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.5625  -17.8340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7538  -14.4292    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.3944  -14.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5799  -13.7501    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   25.9322  -13.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8121  -12.9299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1061  -14.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5625  -12.3908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.7362  -17.1490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4236  -16.7536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.8972  -15.1096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.2740  -15.1096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.1961  -17.8126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5558  -17.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1115  -16.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5028  -16.4093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2773  -19.2040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0     0  0
  3  5  1  0     0  0
  3  6  1  0     0  0
  3  7  1  1     0  0
  4  1  1  0     0  0
  4  8  1  0     0  0
  5  9  1  0     0  0
  8 10  1  0     0  0
  8 11  1  0     0  0
  8 12  1  1     0  0
  2 13  1  0     0  0
 10 14  1  6     0  0
  5  6  1  0     0  0
  9 10  1  0     0  0
 11 13  1  0     0  0
  4 15  1  6     0  0
  5 16  1  1     0  0
  1 17  1  1     0  0
  2 18  1  6     0  0
  2  1  1  0     0  0
  1 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
  2 21  1  0     0  0
 21 22  2  0     0  0
 20 23  2  0     0  0
M  END
> <ID>
CHEBI:6560

> <NAME>
Ludovicin A

> <STAR>
2

> <SYNONYM>
Ludovicin A

> <FORMULA>
C15H20O4

> <MASS>
264.317

> <MONOISOTOPIC_MASS>
264.13616

> <CHARGE>
0

> <SMILES>
C[C@@]12O[C@@H]1C[C@H](O)[C@]1(C)CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]21

> <INCHI>
InChI=1S/C15H20O4/c1-7-8-4-5-14(2)9(16)6-10-15(3,19-10)12(14)11(8)18-13(7)17/h8-12,16H,1,4-6H2,2-3H3/t8-,9-,10+,11-,12+,14-,15+/m0/s1

> <INCHIKEY>
OAWNDSFRANSMHG-PDIQHLCYSA-N

> <CAS_REGISTRY_NUMBER>
22740-13-2

> <KEGG_COMPOUND_ACCESSION>
C09498

> <KNAPSACK_ACCESSION>
C00013027

$$$$