HMDB0302356 RDKit 3D 7-Acetyllycopsamine 51 52 0 0 0 0 0 0 0 0999 V2000 3.1824 2.7545 -0.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3366 1.4579 0.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3085 1.4107 1.6259 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5162 0.2501 -0.2954 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6638 -0.9820 0.3431 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9214 -1.7235 -0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5063 -1.9699 -1.5822 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 -2.1629 -1.5580 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3661 -1.1901 -2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1287 -0.8778 -1.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2842 -1.3160 -0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3269 -1.2294 0.8254 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8785 -0.5859 0.4433 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 -0.3886 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7901 -0.7950 2.5034 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1900 0.2800 0.9538 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0477 0.3369 2.0361 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8512 -0.5579 -0.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0149 -0.7121 -1.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2152 -0.0187 -0.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9730 1.6871 0.4457 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4296 2.5554 1.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1909 2.2116 0.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6162 -1.9253 -0.2258 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1261 2.9867 -0.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6847 3.5405 0.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6955 2.7371 -1.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6265 -0.9276 1.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8158 -1.1081 -0.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9554 -2.6935 0.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0673 -2.7812 -2.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7462 -1.0082 -2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0196 -1.6713 -3.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9440 -0.2984 -2.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2682 -0.3797 -1.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8255 -0.6273 1.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0699 -2.1963 1.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9092 1.1503 2.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0079 -1.5629 0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1731 0.0023 -1.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6817 -0.6275 -2.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5358 -1.7271 -1.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6870 0.4430 0.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1301 0.6362 -1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8321 -0.8855 -0.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2759 1.7575 -0.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2554 3.0580 2.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7618 1.9930 2.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7961 3.3743 1.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1551 3.2022 0.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6114 -2.8958 0.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 1 16 18 1 0 18 19 1 0 18 20 1 0 16 21 1 0 21 22 1 0 21 23 1 0 11 24 1 0 24 5 1 0 24 8 1 0 1 25 1 0 1 26 1 0 1 27 1 0 5 28 1 1 6 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 9 33 1 0 9 34 1 0 10 35 1 0 12 36 1 0 12 37 1 0 17 38 1 0 18 39 1 0 19 40 1 0 19 41 1 0 19 42 1 0 20 43 1 0 20 44 1 0 20 45 1 0 21 46 1 6 22 47 1 0 22 48 1 0 22 49 1 0 23 50 1 0 24 51 1 1 M END