Mrv1652309102208052D 14 15 0 0 0 0 999 V2000 -0.5837 -1.4124 0.0000 O 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 0.0165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 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 N 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 3.3523 -1.1104 0.0000 C 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 2.6378 -2.3479 0.0000 O 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 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8838 -2.1500 0.0000 O 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 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 6 12 1 0 0 0 0 12 13 1 0 0 0 0 4 13 2 0 0 0 0 13 14 1 0 0 0 0 M END > NP0296482 > NP-MRD > OC(=O)C1=C(O)C2=C(O)C=CC=C2N1 > InChI=1S/C9H7NO4/c11-5-3-1-2-4-6(5)8(12)7(10-4)9(13)14/h1-3,10-12H,(H,13,14) > WHNCXIBKVUPNHR-UHFFFAOYSA-N > C9H7NO4 > 193.158 > 193.037507709 > 4 > 21 > 17.793217197109133 > 1 > 4 > 0 > 1 > 3,4-dihydroxy-1H-indole-2-carboxylic acid > 1.6924611973333332 > 0 > 2 > -1 > 8.70514732772018 > 4.871934730874516 > -5.704027589007407 > 93.55 > 48.24 > 1 > 1 > 3,4-dihydroxy-1H-indole-2-carboxylic acid > 0 > NP0296482 > 3,4-dihydroxy-1h-indole-2-carboxylic acid $$$$