HMDB0256615 RDKit 3D Pirsidomine 46 48 0 0 0 0 0 0 0 0999 V2000 8.5151 -0.6129 0.7827 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7629 -0.4555 -0.3911 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4030 -0.2407 -0.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6685 -0.0862 -1.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3079 0.1295 -1.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7017 0.1871 -0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2725 0.4129 -0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5332 0.5677 -1.2507 O 0 0 0 0 0 1 0 0 0 0 0 0 1.7205 0.4647 1.0666 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3022 0.6891 1.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6828 0.1376 0.3546 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8858 0.6079 0.7567 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.1505 0.2907 0.2084 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1894 -0.6333 -0.9034 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6057 -0.0360 -2.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5464 -1.1636 -1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5261 -1.0277 -0.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6026 0.4638 0.2488 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2946 0.9158 0.8047 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3349 0.7279 2.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6107 1.4214 1.7667 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3322 1.4652 1.9896 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4490 0.0310 0.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7995 -0.1832 0.9184 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5948 -0.6896 0.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1996 -1.5567 1.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3826 0.2221 1.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -0.1336 -2.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7448 0.2488 -2.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5305 -0.5569 -0.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5029 -1.4858 -0.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8550 -0.7197 -2.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 0.9678 -1.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3769 0.1547 -2.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4385 -2.2486 -1.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9375 -0.6643 -2.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1763 -1.5956 0.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5183 -1.3416 -0.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8735 0.9881 -0.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3840 0.5746 1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2376 2.0315 0.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2246 0.1154 2.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3542 1.6742 2.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4490 0.1555 2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9175 0.0855 1.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3368 -0.2988 1.8535 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 1 0 7 9 2 3 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 12 21 2 0 21 22 1 0 6 23 1 0 23 24 2 0 24 3 1 0 22 10 1 0 19 13 1 0 1 25 1 0 1 26 1 0 1 27 1 0 4 28 1 0 5 29 1 0 11 30 1 0 14 31 1 0 15 32 1 0 15 33 1 0 15 34 1 0 16 35 1 0 16 36 1 0 17 37 1 0 17 38 1 0 18 39 1 0 18 40 1 0 19 41 1 0 20 42 1 0 20 43 1 0 20 44 1 0 23 45 1 0 24 46 1 0 M CHG 2 8 -1 12 1 M END