HMDB0039409 RDKit 3D N-[[3-(b-D-Glucopyranosyloxy)-2,3-dihydro-2-oxo-1H-indol-3-yl]acetyl]aspartic... 58 60 0 0 0 0 0 0 0 0999 V2000 4.3986 1.0759 3.0198 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1928 0.2878 2.4714 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0754 -0.4335 3.2429 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1963 0.1208 1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1729 0.9483 0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8141 0.6715 0.6679 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8929 0.1606 -0.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2674 -0.0507 -1.4388 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5104 -0.1113 0.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3577 -0.6519 -0.9703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6224 -0.8889 -0.5366 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3581 0.1594 -0.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6692 -0.1911 1.2554 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5789 0.5587 1.9036 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9348 1.5615 2.8486 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1132 2.4068 2.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5952 1.2581 1.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7396 1.5464 1.7490 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8630 0.2786 -0.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1050 -0.9957 0.3474 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5651 0.3341 -0.9287 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6018 1.5771 -1.5621 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2521 0.2696 -2.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5719 1.4767 -2.1875 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3043 -0.4650 -3.1975 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5651 -1.8095 -2.7743 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1045 -2.8506 -3.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2668 -4.0613 -2.8677 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9106 -4.2508 -1.5618 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3646 -3.1753 -0.8503 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1891 -1.9494 -1.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5178 2.3715 0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6741 3.1887 0.8808 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7922 2.7961 0.1341 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5760 -1.2590 2.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2113 0.4213 0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0204 -0.9588 0.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3008 0.7028 -0.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5304 0.8653 1.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1109 0.8297 0.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5497 -0.8730 0.9672 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7899 1.1119 -0.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1735 -0.1273 2.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2854 1.0617 3.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7082 2.1137 3.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4394 3.3314 2.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1045 2.1462 0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4230 1.8758 1.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6897 0.7209 -0.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8417 -1.3801 -0.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6341 -0.4420 -1.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4363 1.4838 -2.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4919 -0.0732 -4.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 -2.7655 -4.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6868 -4.9186 -3.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0266 -5.1870 -1.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -3.3518 0.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2419 3.5087 0.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 14 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 10 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 5 32 1 0 32 33 2 0 32 34 1 0 31 10 1 0 21 12 1 0 31 26 1 0 3 35 1 0 4 36 1 0 4 37 1 0 5 38 1 0 6 39 1 0 9 40 1 0 9 41 1 0 12 42 1 0 14 43 1 0 15 44 1 0 15 45 1 0 16 46 1 0 17 47 1 0 18 48 1 0 19 49 1 0 20 50 1 0 21 51 1 0 22 52 1 0 25 53 1 0 27 54 1 0 28 55 1 0 29 56 1 0 30 57 1 0 34 58 1 0 M END