HMDB0039489 RDKit 3D 6''-O-Acetylglycitin 59 62 0 0 0 0 0 0 0 0999 V2000 -0.2572 -1.2780 3.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1692 -0.9937 2.3007 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6964 -0.6346 1.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0467 -0.5297 1.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9053 -0.1760 0.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2705 -0.0735 0.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7592 -0.3104 1.7165 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1336 0.2806 -0.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5767 0.4019 -0.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1402 1.0520 0.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5027 1.1837 0.9585 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3626 0.6539 0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7256 0.8004 0.2093 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8106 0.0018 -1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4482 -0.1306 -1.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5535 0.5326 -1.6534 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2512 0.4359 -1.8271 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4276 0.0963 -0.8524 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0759 -0.0033 -1.0351 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1734 -0.3633 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1014 -0.4518 -0.2036 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3875 -0.5752 -0.2655 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1170 0.5927 -0.6501 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4189 0.4561 -0.2018 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1519 1.7714 -0.4526 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4810 1.5860 0.0232 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4026 2.6167 -0.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8128 2.4893 0.4137 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9877 3.7008 -0.5866 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1498 -0.6238 -0.9994 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4147 -0.7728 -0.4864 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3809 -1.9016 -0.7808 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9402 -2.9756 -1.4525 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9456 -1.6564 -1.1945 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2639 -2.8465 -1.0778 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0672 -0.5890 3.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6032 -1.1303 4.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5496 -2.3413 3.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 -0.7309 2.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4504 1.4626 1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9023 1.6987 1.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4318 0.4605 -0.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4820 -0.4186 -1.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0003 -0.6365 -2.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1471 0.8194 -2.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6832 0.2081 -2.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8225 -0.8785 0.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4773 0.1565 0.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6413 2.5997 0.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1795 1.9885 -1.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8007 1.7298 1.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4991 2.1992 -0.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0705 3.4524 0.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1352 -0.4068 -2.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6656 -1.7297 -0.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 -2.0725 0.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9216 -3.7592 -0.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9553 -1.2321 -2.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0702 -3.2055 -1.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 8 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 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 27 29 2 0 24 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 20 3 1 0 34 22 1 0 18 5 2 0 15 9 1 0 1 36 1 0 1 37 1 0 1 38 1 0 4 39 1 0 10 40 1 0 11 41 1 0 13 42 1 0 14 43 1 0 15 44 1 0 16 45 1 0 19 46 1 0 22 47 1 1 24 48 1 1 25 49 1 0 25 50 1 0 28 51 1 0 28 52 1 0 28 53 1 0 30 54 1 6 31 55 1 0 32 56 1 1 33 57 1 0 34 58 1 6 35 59 1 0 M END