HMDB0248598 RDKit 3D Aristolochic acid 36 39 0 0 0 0 0 0 0 0999 V2000 4.8874 -1.6153 0.5719 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4904 -1.6734 0.3398 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7836 -0.4709 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4319 0.7325 0.4213 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7341 1.9116 0.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3534 1.9343 0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7061 0.7370 -0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4072 -0.4678 0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7922 -1.6647 -0.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5978 -1.7193 -0.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0579 -3.0061 -0.6456 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.5553 -3.9950 0.0144 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9955 -3.3235 -1.5545 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.2981 -0.5577 -0.4108 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6488 -0.5925 -0.5785 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5178 -1.7437 -0.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4870 -1.8751 -1.2362 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3551 -2.6535 0.5801 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3609 0.6099 -0.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7005 1.7943 -0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3386 1.8699 -0.2908 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6349 0.6799 -0.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 3.2272 -0.1914 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2485 3.8380 0.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2234 3.1120 -0.4883 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3690 -1.0541 -0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3601 -2.5910 0.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1128 -1.0472 1.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5085 0.6920 0.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2594 2.8563 0.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9015 2.8981 0.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3349 -2.6116 -0.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1380 -3.2228 0.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4226 0.5616 -0.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4714 3.5156 1.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3077 4.9149 0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 10 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 15 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 8 3 1 0 22 14 1 0 22 7 1 0 25 20 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 5 30 1 0 6 31 1 0 9 32 1 0 18 33 1 0 19 34 1 0 24 35 1 0 24 36 1 0 M CHG 2 11 1 13 -1 M END