HMDB0031764 RDKit 3D Nifursol 33 34 0 0 0 0 0 0 0 0999 V2000 0.3260 1.8480 1.7968 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1063 0.6548 1.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7529 -0.3685 1.9062 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9498 -0.1127 2.5446 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0570 -0.1529 1.9888 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2497 -0.4750 0.5872 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 -0.7922 -0.4022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0992 -1.0146 -1.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4239 -0.8127 -1.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5295 -0.9308 -2.1429 N 0 0 0 0 0 4 0 0 0 0 0 0 6.6675 -0.7279 -1.7294 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3108 -1.2637 -3.4348 O 0 0 0 0 0 1 0 0 0 0 0 0 4.4436 -0.5064 0.0138 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3687 0.6185 0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0307 1.8225 0.5629 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2489 1.8465 -0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9087 3.0679 -0.3541 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.4253 4.1745 -0.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1233 3.0659 -0.9891 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.8238 0.6525 -0.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2063 -0.5832 -0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8424 -1.7811 -0.5725 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.7589 -2.8307 0.0622 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6071 -1.7638 -1.7124 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.9707 -0.5632 0.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3371 -1.7261 0.7432 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5219 -1.3638 1.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9828 0.0692 2.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3334 -0.8786 -0.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7241 -1.2834 -2.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6139 2.7833 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7902 0.6331 -0.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5966 -2.6509 0.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 9 13 1 0 2 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 16 20 2 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 21 25 2 0 25 26 1 0 13 6 1 0 25 14 1 0 3 27 1 0 5 28 1 0 7 29 1 0 8 30 1 0 15 31 1 0 20 32 1 0 26 33 1 0 M CHG 6 10 1 12 -1 17 1 19 -1 22 1 24 -1 M END