HMDB0030498 RDKit 3D Camelliasaponin A1 175183 0 0 0 0 0 0 0 0999 V2000 -12.1774 1.6074 1.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5204 2.5923 0.3007 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8601 2.6884 -0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2640 3.7018 -1.8188 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7207 1.8089 -1.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0968 1.9150 -2.1905 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3138 0.8504 -0.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2264 0.0331 -0.5002 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6837 -1.4010 -0.5601 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6680 -2.4583 -0.5617 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2438 -2.7254 -2.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3111 -3.7648 -0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3898 -2.1916 0.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0415 -0.7729 -0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7161 -0.3227 0.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9807 -1.1229 0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6187 -0.7554 1.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 0.2282 0.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 0.3067 0.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0176 0.5168 1.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1253 -1.0814 -0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3082 -0.9830 -1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 0.0323 -1.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6907 -0.2999 -0.2921 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9450 -0.5783 -0.6436 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1149 -1.9951 -0.5221 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2732 -2.3694 -1.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3506 -3.8547 -1.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5072 -4.4405 -0.3014 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2862 -4.6521 -1.7055 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5178 -1.7365 -0.7821 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -1.7715 -1.7800 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7443 -2.1889 -1.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9799 -3.4105 -1.9458 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1400 -3.2943 -3.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2917 -2.3974 -3.6753 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1993 -3.1024 -4.4301 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9043 -1.7851 -2.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4788 -2.8503 -1.7301 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7873 -1.1704 -1.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4311 0.0659 -1.9818 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7990 1.1362 -1.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7524 2.0172 -1.0767 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0362 2.9814 -0.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5126 2.6002 1.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8513 3.6249 2.1384 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5211 3.2362 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 4.5581 0.4509 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2142 3.1442 -1.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0019 4.2734 -2.1117 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8042 1.9308 -2.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1610 2.2741 -3.3227 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3265 -0.2205 -0.5551 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2377 0.4358 -1.7694 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 -0.0492 0.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1626 -0.8779 1.3449 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1267 -0.2178 2.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0548 -0.7649 3.2923 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1458 -2.1494 3.1713 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8053 -2.8117 3.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9402 -4.1897 3.3423 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2471 -2.6863 4.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0743 -3.5936 3.3628 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1176 -1.5254 4.4471 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3704 -1.9776 4.9035 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3830 -0.5828 3.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9018 0.6158 3.8080 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 1.3885 -1.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1794 1.9760 -2.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9921 2.3756 -0.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2357 1.3018 -0.7362 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8268 2.6363 -0.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3359 2.5078 -0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9291 1.4499 0.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1492 2.0981 1.6359 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3113 1.0111 -0.2335 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2473 1.0369 -1.7793 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3820 1.9822 0.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5975 1.4634 0.8117 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6545 2.3701 0.6137 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0695 0.1181 0.4756 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6394 -0.5068 1.7564 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6680 -0.4997 2.7686 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.8717 1.7347 2.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3142 0.5845 0.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1704 1.8314 1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3661 3.2802 0.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4067 4.3024 -2.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6736 3.1830 -2.7255 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0053 4.4017 -1.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8056 0.2867 -1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2412 -1.4683 -1.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5407 -1.5680 0.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1625 -2.9624 -2.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8030 -3.5384 -2.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3929 -1.8123 -2.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0226 -4.0518 -0.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9614 -3.5221 0.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5685 -4.5548 0.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6000 -2.8327 -0.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4056 -2.4094 1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1061 -0.8003 -1.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3880 -2.0914 1.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6274 -0.2729 2.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9496 -1.6048 1.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3532 -0.3108 -0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 1.5465 1.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0281 0.0255 1.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6667 0.0087 2.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9798 -1.7787 -0.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4162 -1.4991 0.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0768 -2.0119 -1.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9824 -0.7016 -2.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3655 -0.0069 -2.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2188 -0.4418 -1.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1480 -2.1532 -2.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0181 -5.3032 -2.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8924 -2.0937 0.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6194 -2.3641 -0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2024 -2.9252 -3.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3400 -4.2979 -3.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8987 -1.5625 -4.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0363 -2.5547 -4.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7230 -1.0841 -2.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4529 -2.5903 -0.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3248 -0.9941 -0.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3442 0.9733 -0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5317 3.9158 -0.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3962 2.4669 1.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0049 1.6457 1.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1644 3.2358 3.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9604 2.5846 0.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1520 4.6071 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3010 3.0683 -1.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0377 4.5684 -2.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6551 1.2902 -2.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1933 2.3147 -3.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2060 0.1613 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4887 -0.1365 -2.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9432 1.0149 0.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0172 0.8628 2.3932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 -2.4644 2.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4127 -2.5249 4.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1117 -2.4824 2.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7054 -4.3420 2.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7928 -3.1485 4.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7820 -3.0945 2.8596 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5969 -0.9584 5.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3364 -2.9641 4.9292 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1469 -1.0517 2.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5972 0.6790 4.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1446 1.7728 -3.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0231 3.0503 -2.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5964 1.4389 -3.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8721 2.7660 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2606 2.0076 0.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3537 3.2706 -0.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8077 1.0242 -1.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5758 2.9744 0.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4749 3.3860 -1.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4318 2.3055 -1.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7086 3.5472 -0.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0434 1.7844 2.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2206 1.9987 2.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1861 3.1948 1.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3438 0.5904 -2.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1827 0.6210 -2.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3401 2.1259 -2.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9936 2.8292 0.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7675 2.5027 -0.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4010 1.5305 1.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2525 3.2790 0.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1525 -1.4387 1.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4079 0.2407 2.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0888 -0.8063 3.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 10 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 27 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 44 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 31 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 59 62 1 0 62 63 1 0 62 64 1 0 64 65 1 0 64 66 1 0 66 67 1 0 23 68 1 0 68 69 1 0 68 70 1 0 68 71 1 0 71 72 1 0 72 73 1 0 73 74 1 0 74 75 1 0 74 76 1 0 76 77 1 0 76 78 1 0 78 79 1 0 79 80 1 0 79 81 1 0 81 82 1 0 82 83 1 0 81 8 1 0 81 14 1 0 76 15 1 0 74 18 1 0 71 19 1 0 55 25 1 0 66 57 1 0 40 33 1 0 51 42 1 0 1 84 1 0 1 85 1 0 1 86 1 0 2 87 1 0 4 88 1 0 4 89 1 0 4 90 1 0 8 91 1 0 9 92 1 0 9 93 1 0 11 94 1 0 11 95 1 0 11 96 1 0 12 97 1 0 12 98 1 0 12 99 1 0 13100 1 0 13101 1 0 14102 1 0 16103 1 0 17104 1 0 17105 1 0 18106 1 0 20107 1 0 20108 1 0 20109 1 0 21110 1 0 21111 1 0 22112 1 0 22113 1 0 23114 1 0 25115 1 0 27116 1 0 30117 1 0 31118 1 0 33119 1 0 35120 1 0 35121 1 0 36122 1 0 37123 1 0 38124 1 0 39125 1 0 40126 1 0 42127 1 0 44128 1 0 45129 1 0 45130 1 0 46131 1 0 47132 1 0 48133 1 0 49134 1 0 50135 1 0 51136 1 0 52137 1 0 53138 1 0 54139 1 0 55140 1 0 57141 1 0 59142 1 0 60143 1 0 60144 1 0 61145 1 0 62146 1 0 63147 1 0 64148 1 0 65149 1 0 66150 1 0 67151 1 0 69152 1 0 69153 1 0 69154 1 0 70155 1 0 70156 1 0 70157 1 0 71158 1 0 72159 1 0 72160 1 0 73161 1 0 73162 1 0 75163 1 0 75164 1 0 75165 1 0 77166 1 0 77167 1 0 77168 1 0 78169 1 0 78170 1 0 79171 1 0 80172 1 0 82173 1 0 82174 1 0 83175 1 0 M END