HMDB0029379 RDKit 3D Sinapine 46 46 0 0 0 0 0 0 0 0999 V2000 5.1638 -3.2063 0.2363 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6633 -1.9194 0.0531 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8865 -0.7970 -0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5183 -0.9049 -0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6747 0.1927 -0.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2317 -0.0045 -0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3905 0.9811 -0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0384 0.6978 -0.7259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8356 1.6417 -0.9216 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5201 -0.5819 -0.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8671 -0.9425 -0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5910 -0.2157 0.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0169 -0.5642 0.5582 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.6523 0.2180 -0.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5077 -0.1553 1.8697 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2274 -1.9711 0.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2505 1.4301 -0.6193 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6401 1.5645 -0.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2199 2.8097 -0.7404 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3984 3.9334 -0.9667 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4419 0.4478 -0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8256 0.6250 -0.3001 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3481 -3.3542 -0.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9038 -3.9896 0.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6710 -3.3443 1.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0318 -1.8603 -0.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8205 -1.0004 -0.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7119 1.9980 -0.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2714 -0.7359 -1.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9467 -2.0240 -0.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 -0.4569 1.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5715 0.8877 0.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1192 1.1955 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4276 -0.2901 -1.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7325 0.3567 -0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1506 0.7340 1.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1080 -0.9506 2.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6892 0.0916 2.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4316 -2.5353 0.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1861 -2.2154 0.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3424 -2.3137 -0.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6704 2.3233 -0.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8136 4.1047 -0.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0568 4.7916 -1.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7693 3.7832 -1.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2379 1.5253 -0.4251 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 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 13 16 1 0 5 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 18 21 2 0 21 22 1 0 21 3 1 0 1 23 1 0 1 24 1 0 1 25 1 0 4 26 1 0 6 27 1 0 7 28 1 0 11 29 1 0 11 30 1 0 12 31 1 0 12 32 1 0 14 33 1 0 14 34 1 0 14 35 1 0 15 36 1 0 15 37 1 0 15 38 1 0 16 39 1 0 16 40 1 0 16 41 1 0 17 42 1 0 20 43 1 0 20 44 1 0 20 45 1 0 22 46 1 0 M CHG 1 13 1 M END