HMDB0030048 RDKit 3D Smilagenin 74 79 0 0 0 0 0 0 0 0999 V2000 3.6432 -0.4264 2.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9553 -0.2026 0.7956 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7077 0.5701 1.0582 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8774 1.9047 0.3399 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5299 2.2279 -0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3937 1.2759 0.3986 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6991 1.0503 -0.2542 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5977 2.2472 0.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0272 1.8196 0.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4021 0.7275 -0.7101 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8752 0.5660 -0.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4528 -0.3982 0.2058 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.8139 -0.5045 0.0175 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7818 -1.7499 -0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3410 -1.5893 0.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6274 -0.5221 -0.4866 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2220 -1.1174 -1.8413 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3766 -0.1617 0.3001 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5085 -1.3552 0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2536 -1.0003 1.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 0.0195 0.4374 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6856 -0.5144 -0.9575 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8559 1.6603 -0.5889 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7871 0.7984 -0.0037 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4596 0.0365 -1.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4493 -0.9557 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4522 -0.1561 0.2592 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7632 -0.1932 -0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0244 1.2862 0.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7160 1.4426 0.7743 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9747 -1.4685 2.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.2521 2.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4579 0.2966 2.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8166 -1.1397 0.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 0.7703 2.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 2.7109 1.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5724 1.9767 -1.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2502 3.2881 -0.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5405 1.6215 1.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6489 1.0595 -1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2574 2.7108 1.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5105 3.0327 -0.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2625 1.5234 1.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7043 2.6791 0.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0671 1.1513 -1.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1671 0.2083 -1.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3400 1.5818 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1883 -0.1207 1.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2704 0.3354 -0.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9399 -1.9492 -1.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2222 -2.5113 0.5707 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2544 -1.4981 1.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8309 -2.5658 0.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1763 -1.1329 -2.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5314 -0.4751 -2.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8796 -2.1535 -1.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7512 0.1210 1.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2919 -1.8910 -0.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0602 -2.0916 1.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5865 -0.6324 2.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3614 -1.9152 1.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9545 -1.5900 -0.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4154 0.0819 -1.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2783 -0.4440 -1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 -0.4947 -1.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0642 0.7125 -1.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9027 -1.4882 -1.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9288 -1.7250 0.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6233 -0.5261 1.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7861 -1.1104 -1.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 0.6706 -1.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6367 -0.2659 0.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2564 1.8654 -0.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6682 1.7516 1.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 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 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 6 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 6 4 23 1 0 24 23 1 6 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 24 2 1 0 21 3 1 0 30 24 1 0 21 6 1 0 18 7 1 0 16 10 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 6 3 35 1 1 4 36 1 1 5 37 1 0 5 38 1 0 6 39 1 1 7 40 1 6 8 41 1 0 8 42 1 0 9 43 1 0 9 44 1 0 10 45 1 6 11 46 1 0 11 47 1 0 12 48 1 1 13 49 1 0 14 50 1 0 14 51 1 0 15 52 1 0 15 53 1 0 17 54 1 0 17 55 1 0 17 56 1 0 18 57 1 1 19 58 1 0 19 59 1 0 20 60 1 0 20 61 1 0 22 62 1 0 22 63 1 0 22 64 1 0 25 65 1 0 25 66 1 0 26 67 1 0 26 68 1 0 27 69 1 1 28 70 1 0 28 71 1 0 28 72 1 0 29 73 1 0 29 74 1 0 M END