HMDB0036803 RDKit 3D 6-O-Acetylaustroinulin 62 63 0 0 0 0 0 0 0 0999 V2000 4.9166 0.6510 1.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5738 -0.0861 0.8416 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1798 -0.9337 -0.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8011 -2.2358 -0.6359 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1115 -0.5575 -0.9566 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4174 0.6859 -0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9499 0.6357 -0.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4994 2.0436 -0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6624 2.4565 1.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3267 2.8988 -0.8645 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9064 2.1145 -0.5433 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3762 3.4236 -0.3325 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7442 1.1630 0.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9549 1.0838 -0.4819 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1051 1.7536 -0.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3366 1.6488 -0.9975 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1287 2.4869 0.8399 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1677 -0.1231 0.6601 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1277 -1.2382 0.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4488 -1.0227 1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4162 -1.3396 -1.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6154 -2.5605 0.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3376 -2.8903 0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4352 -1.7493 -0.4303 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 -0.4218 0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0811 -0.6899 1.5921 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3607 1.6058 1.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7202 0.5363 2.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6713 -0.9294 1.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9152 -2.1393 -0.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4251 -2.5825 -1.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4934 -2.9394 0.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8043 -1.1715 -1.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9239 1.2210 0.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6091 1.3977 -1.4807 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5489 0.5077 -1.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3672 3.5523 1.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7057 2.4694 1.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0611 2.0009 2.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9618 2.9801 -1.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9881 1.9501 -1.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0553 4.0656 -1.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0438 1.8117 1.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2090 1.0406 -1.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5657 2.6915 -1.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1975 1.3293 -0.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2014 -0.1526 1.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3179 -0.9977 0.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3836 -0.1828 1.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6720 -1.9125 1.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5049 -1.2562 -1.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9550 -0.5439 -1.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1547 -2.3696 -1.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6151 -2.5517 1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4147 -3.3132 0.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5142 -3.6248 -0.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2871 -3.4703 0.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4999 -2.0933 -0.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3169 -1.6148 -1.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 -1.4624 1.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4327 0.1742 2.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3594 -1.2235 2.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 3 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 8 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 2 0 13 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 19 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 7 1 0 25 18 1 0 1 27 1 0 1 28 1 0 2 29 1 0 4 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 6 34 1 0 6 35 1 0 7 36 1 0 9 37 1 0 9 38 1 0 9 39 1 0 10 40 1 0 11 41 1 0 12 42 1 0 13 43 1 0 16 44 1 0 16 45 1 0 16 46 1 0 18 47 1 0 20 48 1 0 20 49 1 0 20 50 1 0 21 51 1 0 21 52 1 0 21 53 1 0 22 54 1 0 22 55 1 0 23 56 1 0 23 57 1 0 24 58 1 0 24 59 1 0 26 60 1 0 26 61 1 0 26 62 1 0 M END