HMDB0040702 RDKit 3D Sugetriol triacetate 57 59 0 0 0 0 0 0 0 0999 V2000 5.0781 3.2632 -0.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6486 2.8626 -0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8142 3.6695 0.5013 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2016 1.6385 -0.4908 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 1.3119 -0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2666 0.8340 -1.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1398 0.0050 -1.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6545 -0.6257 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6209 0.1087 0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4586 -0.0935 1.7247 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -1.8692 0.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8356 -1.8346 1.3936 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7466 -2.7709 2.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5658 -2.6389 3.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0524 -3.7266 2.2401 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9454 -2.0195 -1.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2941 -1.4285 -0.7306 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2629 0.0494 -0.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3572 0.4054 0.8733 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3673 1.0745 1.4782 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3242 1.3794 2.9234 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3308 1.4283 0.8005 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1231 0.7425 -1.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1003 2.1885 -0.8036 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1304 -1.2695 -2.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 -1.0458 -3.3405 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1874 -1.9725 -2.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7479 2.3674 -0.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2670 3.8546 -1.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3222 3.8964 0.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3168 2.1295 0.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9964 1.6648 -2.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0768 0.2677 -2.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5229 -0.1728 1.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 0.7608 2.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2019 -1.0690 2.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5321 -2.7781 0.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 -1.6086 4.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1363 -3.2869 4.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6396 -2.8787 3.4341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0168 -3.0797 -1.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9513 -1.6967 -1.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7089 -1.9989 0.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2084 0.4484 -0.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8056 2.3580 3.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7795 0.5883 3.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2668 1.4901 3.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4233 0.8176 -2.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 2.7951 -1.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0477 2.3716 0.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 2.5892 -1.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3244 -0.1417 -3.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8653 -1.0364 -3.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4688 -1.9004 -4.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 -1.5981 -3.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9047 -1.7424 -1.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0848 -3.0769 -2.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 8 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 2 0 11 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 2 0 18 23 1 0 23 24 1 0 16 25 1 0 25 26 1 0 25 27 1 0 9 5 1 0 23 7 1 0 25 7 1 0 1 28 1 0 1 29 1 0 1 30 1 0 5 31 1 0 6 32 1 0 6 33 1 0 10 34 1 0 10 35 1 0 10 36 1 0 11 37 1 0 14 38 1 0 14 39 1 0 14 40 1 0 16 41 1 0 17 42 1 0 17 43 1 0 18 44 1 0 21 45 1 0 21 46 1 0 21 47 1 0 23 48 1 0 24 49 1 0 24 50 1 0 24 51 1 0 26 52 1 0 26 53 1 0 26 54 1 0 27 55 1 0 27 56 1 0 27 57 1 0 M END