null
  CDK     0224162157
null
 27 32  0  0  0  0  0  0  0  0999 V2000
    8.0374    1.9727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8220    1.7177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4351    2.2698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2197    2.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3912    1.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1758    0.9529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3474    0.1459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7343   -0.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9497   -0.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7781    0.6558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9935    0.9108    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3804    0.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5734    0.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1609   -0.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3359   -0.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9234    0.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3359    1.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1609    1.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1165    0.3587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0302   -0.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7839   -0.7973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7130   -0.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5415   -1.6043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4667   -0.4617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0698   -1.1598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8903   -1.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0618   -0.2666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  5  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11  2  1  0  0  0  0 
 11 12  1  1  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 13  1  0  0  0  0 
 16 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 15  1  0  0  0  0 
 14 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 22 24  1  0  0  0  0 
 24 12  1  0  0  0  0 
  8 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27  7  1  0  0  0  0 
M  END
> <ID>
CHEBI:93802

> <NAME>
6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one

> <STAR>
2

> <FORMULA>
C20H17NO6

> <MASS>
367.353

> <MONOISOTOPIC_MASS>
367.10559

> <CHARGE>
0

> <SMILES>
CN1CCC2=CC3=C(C=C2[C@H]1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3

> <INCHI>
InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18?/m0/s1

> <INCHIKEY>
IYGYMKDQCDOMRE-ZENAZSQFSA-N

> <LINCS_ACCESSION>
LSM-4326

$$$$