Marvin  04251316322D          

 24 26  0  0  0  0            999 V2000
    7.8938   -3.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8938   -2.3517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1605   -3.6045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5966   -3.6045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4577   -3.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1605   -4.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7244   -3.6045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4577   -4.8267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7244   -4.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4577   -2.3517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4577   -5.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7244   -6.0795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1731   -6.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9260   -5.7253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2612   -6.8829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4794   -6.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0686   -7.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7106   -7.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9674   -8.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3253   -7.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7747   -8.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0957   -4.9180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2997   -6.2491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7861   -6.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  3  1  0  0  0  0
  7  5  1  0  0  0  0
 10  5  1  0  0  0  0
  8  6  2  0  0  0  0
  9  7  2  0  0  0  0
  9  8  1  0  0  0  0
 11  8  1  0  0  0  0
 12 11  2  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 11 13  1  0  0  0  0
 18 15  1  0  0  0  0
 17 15  1  0  0  0  0
 19 18  2  0  0  0  0
 20 17  1  0  0  0  0
 21 19  1  0  0  0  0
 21 20  2  0  0  0  0
 14 22  1  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <ID>
CHEBI:73307

> <NAME>
2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoic acid

> <DEFINITION>
An aminobenzoic acid that is anthranilic acid substituted at position 5 by a (1-methoxy-2-methylindolizin-3-yl)carbonyl group.

> <STAR>
3

> <SYNONYM>
2-amino-5-[(1-methoxy-2-methylindolizin-3-yl)carbonyl]benzoic acid

> <FORMULA>
C18H16N2O4

> <MASS>
324.33060

> <MONOISOTOPIC_MASS>
324.11101

> <CHARGE>
0

> <SMILES>
COc1c(C)c(C(=O)c2ccc(N)c(c2)C(O)=O)n2ccccc12

> <INCHI>
InChI=1S/C18H16N2O4/c1-10-15(20-8-4-3-5-14(20)17(10)24-2)16(21)11-6-7-13(19)12(9-11)18(22)23/h3-9H,19H2,1-2H3,(H,22,23)

> <INCHIKEY>
SNMCWIDCSPHZRD-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
11429953

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