HMDB0040941 RDKit 3D Arjunolic acid 3-glucoside 104109 0 0 0 0 0 0 0 0999 V2000 -7.1917 0.5301 -2.9069 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0858 0.5326 -1.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4588 0.1255 -0.9042 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7110 1.9117 -0.9852 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0255 2.1523 0.3048 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0633 1.0202 0.7256 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7361 0.3810 1.8294 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2996 0.6022 2.9915 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8310 -0.4670 1.8058 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7237 1.5217 1.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8253 0.3810 1.5729 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8830 -0.8173 0.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6969 -1.8605 1.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4944 -0.3739 -0.6491 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8510 -0.4287 -1.8058 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4512 -0.9264 -1.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8077 -0.7260 -0.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6829 -0.8580 -0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0997 -2.2452 -0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3288 0.0555 -1.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8051 -0.0263 -1.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3046 1.0023 -2.3888 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4151 -0.0251 -0.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3467 1.0341 -0.1908 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6382 0.6631 0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4080 0.9325 -1.1266 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6580 0.3526 -1.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6332 -1.1262 -1.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9715 -1.5663 -1.3192 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4377 0.6175 0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9462 1.9334 0.0758 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6088 0.5063 1.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2973 0.9275 2.5183 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3483 1.3500 1.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8182 2.6071 0.7535 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4644 0.0813 0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0666 -0.6334 2.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4794 1.5630 1.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0954 2.4216 0.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0904 -0.3877 0.7579 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 -1.4816 1.6995 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8455 -1.6700 1.7027 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5440 -1.4847 0.3866 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9227 -2.8930 -0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8577 0.2573 -0.5501 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0140 -0.5170 -1.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1980 -0.5258 -3.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1567 1.0143 -3.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3277 1.1009 -3.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2504 0.3251 -1.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4846 -0.9696 -0.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6699 0.6303 0.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6948 2.4784 -0.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2203 2.4654 -1.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6834 2.4615 1.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3326 3.0326 0.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6475 -1.4290 2.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2997 2.0917 0.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7807 2.2027 2.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8136 0.8252 1.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0875 0.1090 2.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6386 -2.1318 0.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1518 -2.8439 1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8129 -1.5771 2.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3761 -0.0904 -2.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3228 -1.8489 -2.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -0.1401 -2.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9828 0.3766 -0.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 -3.0390 -0.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2019 -2.3720 -1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7138 -2.4803 -1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 1.0659 -1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0445 -0.3900 -2.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1548 -0.9564 -2.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5865 1.7281 -1.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0594 -0.9295 -0.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7587 -0.4357 0.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2436 0.8284 -1.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0612 -1.7276 -0.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3058 -1.3202 -2.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0957 -2.2296 -0.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3003 -0.0866 0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2933 2.1258 -0.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2493 -0.5454 1.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0001 1.5599 2.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7677 1.4038 2.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7115 2.7177 -0.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6277 -0.1293 3.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1557 -0.3186 2.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9644 -1.7129 2.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7385 1.6702 2.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4407 1.8704 1.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2298 2.8631 0.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4182 0.4782 1.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9163 -1.1211 2.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2001 -2.4259 1.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 -2.6937 2.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3108 -0.9813 2.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3759 -3.1648 -1.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9714 -2.9928 -0.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6432 -3.6793 0.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8021 1.1049 -1.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6996 -1.0804 -1.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4339 -1.2813 -0.3465 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 21 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 27 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 23 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 36 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 14 45 1 0 45 46 1 0 46 2 1 0 45 6 1 0 43 12 1 0 43 17 1 0 40 18 1 0 34 25 1 0 1 47 1 0 1 48 1 0 1 49 1 0 3 50 1 0 3 51 1 0 3 52 1 0 4 53 1 0 4 54 1 0 5 55 1 0 5 56 1 0 9 57 1 0 10 58 1 0 10 59 1 0 11 60 1 0 11 61 1 0 13 62 1 0 13 63 1 0 13 64 1 0 15 65 1 0 16 66 1 0 16 67 1 0 17 68 1 0 19 69 1 0 19 70 1 0 19 71 1 0 20 72 1 0 20 73 1 0 21 74 1 0 22 75 1 0 23 76 1 0 25 77 1 0 27 78 1 0 28 79 1 0 28 80 1 0 29 81 1 0 30 82 1 0 31 83 1 0 32 84 1 0 33 85 1 0 34 86 1 0 35 87 1 0 37 88 1 0 37 89 1 0 37 90 1 0 38 91 1 0 38 92 1 0 39 93 1 0 40 94 1 0 41 95 1 0 41 96 1 0 42 97 1 0 42 98 1 0 44 99 1 0 44100 1 0 44101 1 0 45102 1 0 46103 1 0 46104 1 0 M END