HMDB0036357 RDKit 3D Oleanolic acid 3-[glucosyl-(1->4)-xyloside] 119125 0 0 0 0 0 0 0 0999 V2000 -9.2116 2.3079 -1.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9084 0.8712 -1.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4794 0.4900 -2.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6106 -0.0041 -0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9008 -1.3164 -0.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5423 -1.1085 0.4198 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8207 -1.1976 1.8725 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4458 -2.2293 2.4928 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4872 -0.1691 2.5566 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6525 -2.2362 0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2864 -2.0605 0.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6413 -0.8332 0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2226 -1.0786 -1.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5323 0.3753 0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0157 1.5716 0.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5751 1.8889 0.5653 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7550 0.6501 0.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2868 0.8189 0.5761 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0274 1.7283 1.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6697 1.5227 -0.6094 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6858 1.1300 -1.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5632 0.4648 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6533 -0.1355 -0.6567 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8579 0.4262 -0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7445 -0.4672 0.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8650 0.2442 0.6513 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7247 0.6038 -0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9200 -0.1100 -0.5507 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0426 0.7174 -0.5257 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7198 0.5539 -1.6962 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5974 -0.5051 -1.7269 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9782 -1.8240 -1.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9378 -2.1807 -2.1786 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7217 -0.1790 -0.7681 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3719 0.9917 -1.1554 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1435 -0.1065 0.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1151 0.5176 1.4233 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8311 0.5554 0.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0338 1.7947 1.3784 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8983 0.3356 -1.7831 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7512 -1.0294 -2.0155 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5185 0.9579 -1.5641 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6496 2.3444 -1.5343 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8468 -0.5022 0.9023 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2458 -0.3490 2.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 -1.9030 0.4687 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6383 -0.5048 0.6864 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3177 -1.3126 1.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6570 -1.7374 1.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4443 -0.4846 0.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0727 -0.1327 2.2915 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0043 0.2642 0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4267 0.5756 -1.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8232 2.3956 -0.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8446 2.7477 -1.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2732 2.8944 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4402 1.3951 -3.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5636 0.2511 -2.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9038 -0.3476 -3.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6741 -0.1780 -0.6173 H 0 0 0 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0 0 0 0 0 0 0 0 4.9760 2.6064 -2.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8148 -1.2440 2.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 -0.2648 3.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 0.4919 2.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4034 -1.8973 0.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1082 -2.6215 1.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7543 -2.2005 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8276 -1.0480 -0.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 -2.2025 2.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6012 -0.6805 2.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1731 -2.3478 1.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5151 -2.3454 0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1801 -0.0651 2.2582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7291 0.8038 2.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8624 -0.9242 3.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5548 0.9887 0.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1659 -0.2742 -1.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8858 1.4675 -1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 6 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 2 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 23 24 1 0 24 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 42 43 1 0 22 44 1 0 44 45 1 0 44 46 1 0 44 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 14 52 1 0 52 53 1 0 53 2 1 0 52 6 1 0 50 12 1 0 50 17 1 0 47 18 1 0 42 24 1 0 38 29 1 0 1 54 1 0 1 55 1 0 1 56 1 0 3 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 9 64 1 0 10 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 13 69 1 0 13 70 1 0 13 71 1 0 15 72 1 0 16 73 1 0 16 74 1 0 17 75 1 0 19 76 1 0 19 77 1 0 19 78 1 0 20 79 1 0 20 80 1 0 21 81 1 0 21 82 1 0 22 83 1 0 24 84 1 0 26 85 1 0 26 86 1 0 27 87 1 0 29 88 1 0 31 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 34 93 1 0 35 94 1 0 36 95 1 0 37 96 1 0 38 97 1 0 39 98 1 0 40 99 1 0 41100 1 0 42101 1 0 43102 1 0 45103 1 0 45104 1 0 45105 1 0 46106 1 0 46107 1 0 46108 1 0 47109 1 0 48110 1 0 48111 1 0 49112 1 0 49113 1 0 51114 1 0 51115 1 0 51116 1 0 52117 1 0 53118 1 0 53119 1 0 M END