CDK     1028232201

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.2869   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5723    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5723    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7478   -0.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4136   -1.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1320   -1.9160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8798   -0.3369    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0963   -0.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2675   -1.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8875   -2.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0227   -1.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4810    0.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8075   -1.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9792   -2.2111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7639   -2.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3768   -1.9137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9356   -3.2728    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 
  2  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  4  6  1  0  0  0  0 
  5  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 10 12  1  0  0  0  0 
 10 13  1  0  0  0  0 
 14 11  1  0  0  0  0 
 11 15  1  0  0  0  0 
 12 16  1  0  0  0  0 
 13 17  1  0  0  0  0 
 14 18  1  0  0  0  0 
 14 19  1  1  0  0  0 
 18 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 22 24  1  0  0  0  0 
 12 15  1  0  0  0  0 
 16 18  1  0  0  0  0 
 17 18  1  0  0  0  0 
M  END
> <ID>
CHEBI:198132

> <NAME>
Brasilamide D

> <STAR>
2

> <IUPAC_NAME>
[(6S)-2-[(E)-5-amino-4-methyl-2,5-dioxopent-3-enyl]-6-methyl-4-oxatricyclo[3.3.1.02,7]nonan-5-yl]methyl acetate

> <FORMULA>
C18H25NO5

> <MASS>
335.400

> <MONOISOTOPIC_MASS>
335.17327

> <CHARGE>
0

> <SMILES>
O=C(N)/C(=C/C(=O)CC12C3[C@@H](C(COC(=O)C)(CC1C3)OC2)C)/C

> <INCHI>
InChI=1S/C18H25NO5/c1-10(16(19)22)4-14(21)7-17-8-24-18(9-23-12(3)20)6-13(17)5-15(17)11(18)2/h4,11,13,15H,5-9H2,1-3H3,(H2,19,22)/b10-4+/t11-,13?,15?,17?,18?/m0/s1

> <INCHIKEY>
VVLXSLOJVMLHRZ-USSSUSHGSA-N

$$$$