HMDB0039552 RDKit 3D Ginsenoside Rs2 170177 0 0 0 0 0 0 0 0999 V2000 -8.0113 -3.2125 -3.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8422 -1.9962 -4.3148 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5204 -2.1911 -5.5221 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0296 -0.7207 -3.8081 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8817 0.4220 -4.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1111 1.7350 -3.9213 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2785 2.1214 -2.9298 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2187 1.2211 -1.8672 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0860 1.5266 -1.0644 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0250 0.6876 -1.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8682 1.5384 -1.7814 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9696 2.0666 -0.7115 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5330 1.0809 0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9364 1.6589 1.6741 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1993 -0.2226 0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7688 -1.3202 0.9201 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3144 -1.6524 0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4674 -0.3998 0.6459 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1653 -0.3822 2.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0665 0.8597 0.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1714 1.9782 0.6218 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3062 1.7342 0.4751 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8450 2.1905 1.6968 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8193 0.4952 -0.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0115 -0.2342 0.4176 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3906 0.2518 0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5400 1.6272 0.8659 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5837 0.6296 -1.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9856 1.1343 -1.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2352 1.5825 -2.9737 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1131 0.9755 -3.7261 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8804 -0.1752 -3.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3769 1.4728 -5.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3710 -0.4630 0.6371 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9185 -1.6238 0.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2478 -1.7267 0.1581 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2470 -1.3357 0.9915 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4046 -2.2664 0.6736 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5792 -2.1003 1.2897 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1841 -0.8946 0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2961 -1.1171 0.1348 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4066 -0.5506 0.6579 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3816 -1.5782 1.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4799 -0.9073 1.7329 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9796 0.4121 1.7139 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6948 1.6833 1.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6928 -0.2378 2.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0162 -1.1686 3.1911 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8409 -1.3849 2.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9729 -1.4726 3.2316 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9916 -2.6375 2.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6903 -2.7548 3.9485 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 -2.4529 1.7773 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8014 -1.9135 2.6587 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8146 -1.5894 -0.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3544 -1.8975 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7521 -0.5974 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3466 -0.6289 -1.6746 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6796 -0.1868 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5284 0.0734 1.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0230 -1.6313 -0.6365 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5009 1.1886 -1.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4516 1.7202 0.1469 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2296 0.9235 0.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5434 0.5637 2.1198 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2509 -0.3185 2.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5034 -1.6554 2.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2929 -2.2497 2.0063 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5674 0.2958 3.3727 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5934 0.3687 4.7640 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6720 1.7259 2.8545 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0064 2.1152 3.0903 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4296 1.8021 1.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1851 3.1498 1.0493 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4479 2.2103 -1.8738 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8197 3.4400 -1.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5446 1.8155 -3.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2442 2.8325 -3.9823 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8041 -3.0213 -2.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3216 -4.0387 -4.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0616 -3.4499 -2.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5553 0.2882 -5.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8531 0.4126 -5.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0673 2.4988 -4.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9543 0.2352 -2.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3214 0.0314 -2.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2227 2.3444 -2.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2247 0.8897 -2.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0837 2.5786 -1.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5377 2.8779 -0.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1508 0.9237 2.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9248 2.2111 1.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2878 2.4053 2.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7827 -0.4867 -0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6839 -1.0956 2.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3100 -2.2620 0.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3113 -2.1061 -0.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9956 -2.4291 1.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9025 0.2960 2.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8225 -0.0911 2.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3595 -1.3709 2.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 0.8796 -0.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4932 2.8721 0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4053 2.2902 1.6896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6644 2.5816 -0.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5218 3.1283 1.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 0.6792 -1.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9650 -0.4280 1.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6674 1.8720 0.8895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1087 2.4479 0.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3096 1.5569 1.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4170 -0.2315 -2.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9117 1.4229 -1.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1221 2.1071 -0.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7871 0.4861 -1.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6517 2.4348 -3.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5785 0.1042 -2.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -0.7385 -4.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1191 -0.8598 -2.7255 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5002 1.6046 -5.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2406 0.9619 -5.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7789 2.5279 -4.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4619 -2.3131 -0.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5592 -0.3123 0.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4830 -2.2147 -0.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0603 -3.3477 0.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5093 -0.2793 0.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9308 -0.0141 -0.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8655 -2.2157 1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7530 -2.2004 0.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2256 -0.8700 1.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6999 0.3526 2.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7378 1.7868 0.9885 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9425 0.4804 2.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8363 -0.9480 3.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2924 -0.4651 2.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0486 -0.6693 3.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5889 -3.4757 2.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0757 -3.5926 4.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3212 -3.4649 1.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9942 -2.4443 2.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4302 -2.3981 0.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8571 -1.5484 -1.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0675 -2.7070 -0.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1982 -2.2764 1.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 -0.8851 -1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 0.3589 -2.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0232 -1.3486 -2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0953 -0.2832 1.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9458 1.1100 1.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4694 -0.5640 0.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8714 -1.6290 -1.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1882 -2.1041 -1.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3993 -2.2167 0.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0493 0.2207 -1.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6676 0.0568 0.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6401 -0.4831 3.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9882 -2.2769 3.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2440 -1.6367 1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1372 -3.0023 2.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4483 -0.2847 3.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3366 1.2520 5.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0125 2.3630 3.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3000 2.6958 2.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3004 1.4964 0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2145 3.3237 1.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4548 2.1738 -1.4707 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8285 3.9079 -2.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0157 0.8381 -3.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7407 3.2517 -4.7332 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 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 2 3 31 32 1 0 31 33 1 0 26 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 42 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 37 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 25 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 15 59 1 0 59 60 1 0 59 61 1 0 8 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 66 69 1 0 69 70 1 0 69 71 1 0 71 72 1 0 71 73 1 0 73 74 1 0 62 75 1 0 75 76 1 0 75 77 1 0 77 78 1 0 77 6 1 0 59 10 1 0 73 64 1 0 20 13 1 0 57 24 1 0 57 18 1 0 53 35 1 0 47 40 1 0 1 79 1 0 1 80 1 0 1 81 1 0 5 82 1 0 5 83 1 0 6 84 1 0 8 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 12 90 1 0 14 91 1 0 14 92 1 0 14 93 1 0 15 94 1 0 16 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 19 99 1 0 19100 1 0 19101 1 0 20102 1 0 21103 1 0 21104 1 0 22105 1 0 23106 1 0 24107 1 0 25108 1 0 27109 1 0 27110 1 0 27111 1 0 28112 1 0 28113 1 0 29114 1 0 29115 1 0 30116 1 0 32117 1 0 32118 1 0 32119 1 0 33120 1 0 33121 1 0 33122 1 0 35123 1 0 37124 1 0 38125 1 0 38126 1 0 40127 1 0 42128 1 0 43129 1 0 43130 1 0 44131 1 0 45132 1 0 46133 1 0 47134 1 0 48135 1 0 49136 1 0 50137 1 0 51138 1 0 52139 1 0 53140 1 0 54141 1 0 55142 1 0 55143 1 0 56144 1 0 56145 1 0 58146 1 0 58147 1 0 58148 1 0 60149 1 0 60150 1 0 60151 1 0 61152 1 0 61153 1 0 61154 1 0 62155 1 0 64156 1 0 66157 1 0 67158 1 0 67159 1 0 68160 1 0 69161 1 0 70162 1 0 71163 1 0 72164 1 0 73165 1 0 74166 1 0 75167 1 0 76168 1 0 77169 1 0 78170 1 0 M END