HMDB0304390 RDKit 3D indole-3-acetyl-beta-4-D-glucose 43 45 0 0 0 0 0 0 0 0999 V2000 0.6524 0.9015 0.5885 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4289 0.6918 -0.6393 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5623 0.6629 -1.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8575 0.8988 -0.9171 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6149 2.0514 -0.9172 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7288 1.8548 -0.1783 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7139 0.5955 0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5585 -0.1514 1.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2939 -1.4574 1.4509 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1288 -2.0588 0.9935 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2765 -1.3096 0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5690 0.0013 -0.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8774 0.5053 -0.9826 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9871 0.5221 -0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5483 -0.8862 -0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4123 -1.8175 0.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9666 -1.5751 1.5076 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5878 -1.0838 0.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6414 -0.2212 0.5814 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9840 0.2023 1.8675 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4658 0.9085 -0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0093 0.5827 -1.6358 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0922 1.4152 -0.5537 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8615 1.7180 -1.9167 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4068 1.4365 -2.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6516 -0.3117 -2.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3557 2.9667 -1.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4824 2.5398 0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4900 0.2915 1.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9808 -2.0349 2.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9023 -3.0922 1.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3852 -1.8011 -0.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6701 0.7126 0.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7985 -1.0898 -1.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5433 -1.6351 -0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6843 -2.8922 0.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7800 -1.5715 2.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5209 -0.8228 0.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3450 -0.6021 2.3302 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1276 1.7452 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0303 -0.3970 -1.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9756 2.4113 -0.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1307 1.1958 -2.2930 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 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 2 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 15 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 12 4 1 0 23 14 1 0 12 7 1 0 3 25 1 0 3 26 1 0 5 27 1 0 6 28 1 0 8 29 1 0 9 30 1 0 10 31 1 0 11 32 1 0 14 33 1 0 15 34 1 0 16 35 1 0 16 36 1 0 17 37 1 0 19 38 1 0 20 39 1 0 21 40 1 0 22 41 1 0 23 42 1 0 24 43 1 0 M END