Ketcher 12052216212D 1   1.00000     0.00000     0

 26 29  0     0  0            999 V2000
   37.1127  -16.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9842  -15.6541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1127  -17.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2413  -15.6541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.8557  -16.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9842  -14.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9842  -17.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2413  -17.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2413  -14.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2844  -15.9649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.8557  -17.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.8496  -15.9947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   37.1127  -14.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.8582  -14.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9842  -18.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2413  -18.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.2844  -14.3368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.6929  -15.1509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.1422  -15.2240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.4855  -16.7744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.8636  -13.1431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.1127  -19.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.7270  -14.6571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.3698  -19.1759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.8557  -19.1759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   39.7271  -18.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  2  0     0  0
  3  8  1  0     0  0
  4  9  2  0     0  0
  4 10  1  0     0  0
  5 11  2  0     0  0
  5 12  1  0     0  0
  6 13  2  0     0  0
  6 14  1  0     0  0
  7 15  1  0     0  0
  8 16  2  0     0  0
  9 17  1  0     0  0
 10 18  1  0     0  0
 12 19  2  0     0  0
 12 20  1  0     0  0
 14 21  2  0     0  0
 15 22  2  0     0  0
  7 11  1  0     0  0
  9 13  1  0     0  0
 16 22  1  0     0  0
 17 18  1  0     0  0
 14 23  1  0     0  0
 16 24  1  0     0  0
 15 25  1  0     0  0
 25 26  1  0     0  0
M  CHG  2  12   1  20  -1
M  END
> <ID>
CHEBI:194152

> <NAME>
aristolochic acid D

> <DEFINITION>
An aristolochic acid that is phenanthrene-1-carboxylic acid substituted by a methylenedioxy group at the 3,4 positions, by an hydroxy group at position 6, by a methoxy group at position 8, and by a nitro group at position 10.

> <STAR>
3

> <SYNONYM>
AAD; 10-hydroxy-8-methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid

> <IUPAC_NAME>
10-hydroxy-8-methoxy-6-nitro-2H-phenanthro[3,4-d][1,3]dioxole-5-carboxylic acid

> <FORMULA>
C17H11NO8

> <MASS>
357.274

> <MONOISOTOPIC_MASS>
357.04847

> <CHARGE>
0

> <SMILES>
COC1=CC(O)=CC2=C1C=C(C1=C2C2=C(OCO2)C=C1C(O)=O)[N+]([O-])=O

> <INCHI>
InChI=1S/C17H11NO8/c1-24-12-3-7(19)2-9-8(12)4-11(18(22)23)14-10(17(20)21)5-13-16(15(9)14)26-6-25-13/h2-5,19H,6H2,1H3,(H,20,21)

> <INCHIKEY>
PADIFGYTAXNCRK-UHFFFAOYSA-N

> <PUBMED_CITATION>
36347294

$$$$