HMDB0062403 RDKit 3D 4-hydroxy-3-nitrophenylacetate 21 21 0 0 0 0 0 0 0 0999 V2000 -2.3470 0.0351 1.5483 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8436 -0.3603 0.4701 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1700 -0.7449 0.4579 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0096 -0.4037 -0.7413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6213 0.0574 -0.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2556 1.3759 -0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0285 1.8070 -0.3763 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9862 0.8949 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2949 1.2758 0.2525 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6545 -0.4410 0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6614 -1.3587 0.5303 N 0 0 0 0 0 4 0 0 0 0 0 0 3.5774 -0.9644 1.2819 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6699 -2.6847 0.1085 O 0 0 0 0 0 1 0 0 0 0 0 0 0.3487 -0.8411 -0.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4768 -1.6985 0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9938 -1.4533 -1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5040 0.2357 -1.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0227 2.0925 -0.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3012 2.8503 -0.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6340 2.2123 0.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0877 -1.8863 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 10 14 2 0 14 5 1 0 3 15 1 0 4 16 1 0 4 17 1 0 6 18 1 0 7 19 1 0 9 20 1 0 14 21 1 0 M CHG 2 11 1 13 -1 M END