33 35  0  0  1  0  0  0  0  0999 V2000
   27.5019  -11.4045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.8975  -11.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5953  -12.6131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.5953  -10.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4227  -15.8912    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.8306  -15.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5397  -14.7947    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.9892  -17.2326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.7036  -14.7905    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   25.2675  -17.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8520  -13.4201    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.5095  -13.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1347  -18.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3829  -13.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0175  -15.6694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.4721  -17.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1208  -12.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0307  -12.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1413  -19.4491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3527  -12.4088    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   28.1980  -14.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4752  -19.2864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3138  -11.4210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6948  -11.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5334  -12.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4143  -15.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2381  -13.6375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6797  -19.9709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2974   -9.9259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.6836  -21.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8814  -19.2757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2524  -15.2944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.7815  -14.5349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0     0  0
  2  3  2  0     0  0
  5  6  1  0     0  0
  5  7  1  0     0  0
  5  8  1  0     0  0
  6  9  1  0     0  0
  6 10  2  0     0  0
  7 11  1  0     0  0
  7 12  1  0     0  0
  8 13  1  0     0  0
  9 14  1  0     0  0
  9 15  1  6     0  0
 10 16  1  0     0  0
 11 17  1  0     0  0
 11 18  1  1     0  0
 13 19  2  0     0  0
 14 20  1  0     0  0
 15 21  1  0     0  0
 16 22  1  0     0  0
 17 23  1  0     0  0
 20 24  1  0     0  0
 20  1  1  6     0  0
 20 25  1  1     0  0
 21 26  1  0     0  0
 21 27  2  0     0  0
 22 28  1  0     0  0
 24 29  2  0     0  0
 28 30  1  0     0  0
 28 31  2  0     0  0
 10 13  1  0     0  0
 11 12  1  0     0  0
 23 24  1  0     0  0
  7 32  1  6     0  0
  1  2  1  0     0  0
  5 33  1  1     0  0
M  END
> <ID>
CHEBI:5375

> <NAME>
Glaucolide B

> <STAR>
2

> <SYNONYM>
Glaucolide B

> <FORMULA>
C21H26O10

> <MASS>
438.426

> <MONOISOTOPIC_MASS>
438.15260

> <CHARGE>
0

> <SMILES>
CC(=O)OCC1=C2[C@H](OC1=O)[C@H]1O[C@]1(C)CCC(=O)[C@@](C)(C[C@@H]2OC(C)=O)OC(C)=O

> <INCHI>
InChI=1S/C21H26O10/c1-10(22)27-9-13-16-14(28-11(2)23)8-21(5,30-12(3)24)15(25)6-7-20(4)18(31-20)17(16)29-19(13)26/h14,17-18H,6-9H2,1-5H3/t14-,17-,18+,20+,21+/m0/s1

> <INCHIKEY>
JNLNEIIZZQABDP-ZBWGKUOUSA-N

> <CAS_REGISTRY_NUMBER>
11091-27-3

> <KEGG_COMPOUND_ACCESSION>
C09465

> <KNAPSACK_ACCESSION>
C00003291

$$$$