HMDB0041233 RDKit 3D Ursolic acid 3-[glucosyl-(1->4)-xyloside] 119125 0 0 0 0 0 0 0 0999 V2000 -6.6495 0.3140 -2.8042 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0067 0.6083 -1.3252 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8457 -0.6279 -0.4997 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4110 -0.8403 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6812 -1.5173 -1.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2418 -1.8195 -0.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6659 -0.6466 -0.1005 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1847 -0.5692 -0.1841 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4377 -1.8387 -0.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8608 0.0029 -1.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 0.2057 -1.8191 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 0.5366 -0.6172 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3244 -0.5066 -0.3217 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 -0.2160 -0.6016 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0689 -1.0253 -1.6705 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3560 -0.6193 -2.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3614 -0.9618 -0.9454 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0320 0.1713 -0.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4112 0.0526 -0.6441 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0150 0.2031 0.5898 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3613 -0.1464 0.5689 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0318 0.4785 1.7567 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9539 1.8487 1.7814 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0263 0.2142 -0.7324 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0880 -0.9063 -1.5586 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3442 1.3484 -1.4403 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6508 2.5866 -0.8736 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8671 1.1837 -1.5370 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4787 0.9264 -2.8627 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5833 -1.5233 0.2235 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9941 -2.7411 -0.0602 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5215 -0.4732 0.5820 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2726 0.6858 0.8935 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6972 0.9637 0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5076 0.5962 1.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7396 2.5135 0.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7142 0.5372 0.7287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1839 0.3254 2.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7141 0.4565 2.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3321 -0.6154 1.2129 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2335 -1.8954 2.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8010 -0.3109 1.0362 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0277 1.1583 1.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6322 -0.9641 2.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0673 -0.5839 2.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7078 -0.8040 0.6925 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.2574 -2.1825 0.7125 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4911 -2.3572 0.6803 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4574 -3.3202 0.7663 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9367 0.1157 0.6695 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3606 0.2610 -0.7768 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3577 1.2202 -1.3787 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.4610 2.5797 -0.7241 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1348 -0.6336 -3.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5471 0.2588 -2.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9813 1.1874 -3.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2436 1.4113 -1.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1614 -1.4433 -1.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1578 -1.9150 -1.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7447 -1.9436 -1.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0899 -2.7999 -0.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0554 0.2626 -0.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1484 -2.6905 -0.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -2.0829 -0.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2551 -1.9332 0.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3551 1.0194 -1.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2723 -0.6323 -2.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0449 -0.7144 -2.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6742 0.9759 -2.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1044 1.3646 -0.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7676 0.8250 -0.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3430 0.4683 -2.2191 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6158 -1.1637 -2.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0635 -1.7305 -1.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6008 -0.9428 -1.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4192 -1.2475 0.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1275 0.2152 1.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6186 0.0870 2.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8344 2.2810 1.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0763 0.4917 -0.4974 H 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 -3.5829 -1.6578 3.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1849 -2.2366 2.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1016 1.4436 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6976 1.3758 2.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5376 1.8411 0.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5777 -2.0485 2.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3015 -0.5916 3.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5904 -1.2481 2.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3185 0.4251 2.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1240 -3.7763 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7403 -0.2695 1.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6377 1.1049 1.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3947 0.5960 -0.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2350 -0.7184 -1.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7441 1.4010 -2.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5155 2.8000 -0.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1587 3.3649 -1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7742 2.7121 0.1284 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 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 1 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 21 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 17 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 12 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 1 40 42 1 0 42 43 1 6 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 1 47 48 2 0 47 49 1 0 46 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 52 2 1 0 46 3 1 0 42 4 1 0 40 7 1 0 37 8 1 0 32 14 1 0 28 19 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 1 3 58 1 6 5 59 1 0 6 60 1 0 6 61 1 0 7 62 1 6 9 63 1 0 9 64 1 0 9 65 1 0 10 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 6 14 71 1 6 16 72 1 0 16 73 1 0 17 74 1 6 19 75 1 6 21 76 1 1 22 77 1 0 22 78 1 0 23 79 1 0 24 80 1 1 25 81 1 0 26 82 1 6 27 83 1 0 28 84 1 1 29 85 1 0 30 86 1 1 31 87 1 0 32 88 1 1 33 89 1 0 35 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 41101 1 0 41102 1 0 41103 1 0 43104 1 0 43105 1 0 43106 1 0 44107 1 0 44108 1 0 45109 1 0 45110 1 0 49111 1 0 50112 1 0 50113 1 0 51114 1 0 51115 1 0 52116 1 6 53117 1 0 53118 1 0 53119 1 0 M END