HMDB0033396 RDKit 3D (3b,16a)-Dihydroxy-12-oleanen-28-oic acid 3-glucoside 28-[glucosyl-(1->3)-[xy... 195205 0 0 0 0 0 0 0 0999 V2000 5.6255 0.4203 1.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0175 1.3558 0.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9407 1.4330 -0.3117 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9581 0.2034 -1.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6973 -0.1371 -1.4353 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0660 -1.1517 -0.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7666 -0.5266 -0.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6844 -1.3830 0.0005 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1003 -1.2094 1.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2456 -0.2556 1.8820 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2716 -2.0851 1.4147 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7038 -3.4070 1.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3344 -4.1682 0.5529 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5695 -4.5327 -0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1112 -5.1629 -1.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2467 -5.6797 0.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4868 -3.3677 -0.4581 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1892 -2.1027 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3024 -1.2210 0.6145 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3818 -0.0361 0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4614 0.9516 0.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6737 0.0732 0.6388 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9219 0.8536 0.4519 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1889 1.0078 -1.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8256 2.3026 0.9442 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0693 2.8252 1.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3671 2.3018 1.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7465 3.0500 -0.0468 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9180 3.7536 0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7591 5.1443 0.0977 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7180 5.6393 1.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5722 7.1425 1.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5302 7.6162 2.0345 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.0736 5.2668 0.5304 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8330 6.4353 0.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.1077 4.4334 -0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1313 5.3418 -1.7944 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0039 3.4311 -0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5466 3.5235 -2.1681 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4206 0.8280 0.7894 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0010 0.4596 -0.5068 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3613 0.2276 1.8568 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0738 0.2644 1.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0500 -1.2036 1.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7392 -1.8729 1.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5588 -0.9246 1.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8356 -0.5431 3.1347 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2419 -1.6298 1.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5798 -3.0968 1.7673 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3296 -1.4311 2.9079 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8878 -1.4510 2.6323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2210 -2.0650 3.7402 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3379 0.2240 -1.4039 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2145 -0.4866 -2.5527 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -1.9688 -2.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7545 -2.3614 -3.8058 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7246 -2.2727 -1.6757 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7576 -2.6678 -2.4735 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2769 -3.9202 -2.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7985 -4.9416 -2.9475 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9885 -6.1754 -2.3879 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -6.4290 -1.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8884 -6.3026 -1.1951 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4505 -6.4935 -2.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5763 -7.5882 -1.2778 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2976 -5.3296 -1.7886 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5599 -5.5253 -2.4087 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7610 -3.9763 -2.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1766 -3.7100 -3.4407 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9351 0.4065 -2.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2679 -0.7789 -2.7239 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1668 1.1314 -1.5509 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2996 0.6666 -2.2038 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2830 0.8317 -0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4388 1.3825 0.4263 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3146 0.4401 0.9269 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2570 0.5385 2.3252 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8141 1.6820 2.8392 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3110 1.6320 2.5812 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7570 0.3714 2.9712 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4542 1.6932 1.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9532 2.8568 0.5454 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8863 3.5514 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4673 3.7934 -1.5044 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7136 4.9562 -1.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4803 6.1823 -1.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6876 6.9174 -0.3598 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7637 5.8272 -0.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6550 5.2798 -1.4403 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4062 4.7703 0.4878 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4657 5.3136 1.3577 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7224 0.5050 0.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9647 0.3213 -0.8562 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2067 -0.5168 1.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6498 0.9622 2.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5538 0.0941 1.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2309 2.3867 0.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3131 -0.5302 -0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6747 -1.5381 0.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9307 0.2372 0.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1991 -3.1981 2.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4036 -4.0230 2.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1281 -5.1375 0.8974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -3.6580 -0.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1993 -4.7029 -1.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8695 -6.2175 -1.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9657 -5.1146 -2.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3555 -5.6146 0.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9669 -5.7621 1.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9460 -6.6836 0.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4373 -3.2553 -1.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5223 -3.7678 -0.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5775 -1.5335 -0.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6634 0.3506 -0.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6769 1.6536 -0.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2000 1.5245 1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6370 -0.6009 -0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6164 0.1088 -1.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1674 1.0790 -1.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6457 1.9605 -1.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0062 2.4116 1.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5372 2.9987 0.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1359 3.9392 1.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0107 2.6097 2.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1317 2.5042 1.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2813 3.5011 1.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5507 5.1598 2.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7088 7.6561 0.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5754 7.3918 1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7716 6.8998 2.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5988 4.6799 1.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6721 6.4104 0.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1018 3.9043 -0.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5438 6.1328 -1.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4340 2.4170 -0.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4811 4.4981 -2.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8882 1.2088 -1.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1338 0.4472 -0.3842 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7716 -0.5644 -0.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8387 -0.6907 1.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8574 0.1240 2.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2098 0.9732 1.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9997 0.6851 2.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6789 -1.6542 0.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6656 -1.4420 2.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5076 -2.1918 0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8206 -2.7056 2.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5848 0.4832 3.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8643 -0.8562 3.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2552 -1.2002 3.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2746 -3.5286 1.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7094 -3.7391 1.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0694 -3.1294 2.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5446 -2.2037 3.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5390 -0.3973 3.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4408 -0.3924 2.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8957 -2.4376 4.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8082 -0.0026 -3.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1435 -0.4120 -2.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6153 -2.5444 -2.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7631 -3.3442 -3.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4729 -3.1332 -0.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8035 -4.1312 -1.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5649 -6.9271 -3.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4501 -7.5239 -0.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6654 -5.8789 -0.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4341 -7.0532 -0.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8199 -6.9028 -3.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0844 -7.2631 -0.4941 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5257 -5.3876 -0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4025 -5.9009 -3.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2312 -3.2075 -1.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5362 -4.0712 -4.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4846 1.0988 -2.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1563 -1.1274 -2.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0830 2.2178 -1.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8230 1.3950 -2.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3472 -0.2800 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8979 -0.5935 0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6010 1.6959 3.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3675 2.5613 2.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8722 2.4016 3.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5981 0.1320 2.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5327 1.5340 0.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7831 2.8590 -0.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4591 5.0399 -2.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7229 4.8955 -1.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6487 6.8197 -2.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1716 7.7369 -0.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2070 6.7249 -0.0388 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6222 5.7331 -2.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2967 4.5062 1.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5383 4.8630 2.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2301 -0.4013 0.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5158 -0.5219 -1.1073 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 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 14 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 31 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 27 40 1 0 40 41 1 0 40 42 1 0 40 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 51 52 1 0 7 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 61 64 1 0 64 65 1 0 64 66 1 0 66 67 1 0 66 68 1 0 68 69 1 0 4 70 1 0 70 71 1 0 70 72 1 0 72 73 1 0 72 74 1 0 74 75 1 0 75 76 1 0 76 77 1 0 77 78 1 0 78 79 1 0 79 80 1 0 79 81 1 0 81 82 1 0 82 83 1 0 83 84 1 0 84 85 1 0 85 86 1 0 86 87 1 0 86 88 1 0 88 89 1 0 88 90 1 0 90 91 1 0 81 92 1 0 92 93 1 0 74 2 1 0 92 76 1 0 57 6 1 0 68 59 1 0 90 83 1 0 18 11 1 0 48 19 1 0 51 11 1 0 46 22 1 0 43 23 1 0 38 29 1 0 1 94 1 0 1 95 1 0 1 96 1 0 2 97 1 0 4 98 1 0 6 99 1 0 7100 1 0 12101 1 0 12102 1 0 13103 1 0 13104 1 0 15105 1 0 15106 1 0 15107 1 0 16108 1 0 16109 1 0 16110 1 0 17111 1 0 17112 1 0 18113 1 0 20114 1 0 21115 1 0 21116 1 0 22117 1 0 24118 1 0 24119 1 0 24120 1 0 25121 1 0 25122 1 0 26123 1 0 26124 1 0 27125 1 0 29126 1 0 31127 1 0 32128 1 0 32129 1 0 33130 1 0 34131 1 0 35132 1 0 36133 1 0 37134 1 0 38135 1 0 39136 1 0 41137 1 0 41138 1 0 41139 1 0 42140 1 0 42141 1 0 42142 1 0 43143 1 0 44144 1 0 44145 1 0 45146 1 0 45147 1 0 47148 1 0 47149 1 0 47150 1 0 49151 1 0 49152 1 0 49153 1 0 50154 1 0 50155 1 0 51156 1 0 52157 1 0 54158 1 0 54159 1 0 55160 1 0 56161 1 0 57162 1 0 59163 1 0 61164 1 0 62165 1 0 62166 1 0 63167 1 0 64168 1 0 65169 1 0 66170 1 0 67171 1 0 68172 1 0 69173 1 0 70174 1 0 71175 1 0 72176 1 0 73177 1 0 74178 1 0 76179 1 0 78180 1 0 78181 1 0 79182 1 0 80183 1 0 81184 1 0 83185 1 0 85186 1 0 85187 1 0 86188 1 0 87189 1 0 88190 1 0 89191 1 0 90192 1 0 91193 1 0 92194 1 0 93195 1 0 M END