Mrv1652305171818242D 14 15 0 0 0 0 999 V2000 0.6538 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 0.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 -1.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 -1.3654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 -1.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5837 0.0165 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 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 2 0 0 0 0 10 11 1 0 0 0 0 1 12 1 0 0 0 0 12 13 2 0 0 0 0 11 1 1 0 0 0 0 10 3 1 0 0 0 0 14 12 1 0 0 0 0 M END > NP0091521 > NP-MRD > OC(=O)C1CC2=CC(=O)C(=O)C=C2N1 > InChI=1S/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10H,1H2,(H,13,14) > VJNCICVKUHKIIV-UHFFFAOYSA-N > C9H7NO4 > 193.1562 > 193.037507717 > 5 > 21 > 17.478121392848678 > 1 > 2 > 0 > 1 > 5,6-dioxo-2,3,5,6-tetrahydro-1H-indole-2-carboxylic acid > 0.22 > -0.08718718499999992 > -1.28 > 0 > 2 > -1 > 18.0573667859171 > 3.668581054597647 > -8.82531687301901 > 83.47 > 47.883700000000005 > 1 > 1 > 1.02e+01 g/l > dopachrome > 0 > NP0091521 > D-Dopachrome $$$$