HMDB0032853 RDKit 3D 3-(1,1-Dimethylallyl)scopoletin 7-glucoside 56 58 0 0 0 0 0 0 0 0999 V2000 5.4655 -0.8599 2.4853 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2552 -0.2063 1.6611 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7483 0.1860 0.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1876 -0.8440 -0.6782 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4145 1.4906 -0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2899 0.3234 0.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4923 -0.4684 -0.3853 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1173 -0.3287 -0.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2628 -1.1004 -1.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1229 -0.9097 -0.9396 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9573 -1.6830 -1.7211 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5342 -2.6444 -2.6422 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6425 0.0012 -0.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9661 0.2074 0.0841 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1175 -0.3020 -0.4519 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8632 0.7844 -0.9457 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2355 0.5614 -0.8902 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8929 1.7225 -1.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2749 1.6235 -1.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7409 0.5826 0.5442 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2647 1.8034 0.9093 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5830 0.1614 1.4471 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6805 1.2159 1.5565 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8867 -0.9612 0.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9943 -1.5436 1.6134 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2724 0.7598 0.6991 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6306 0.6021 0.5925 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 1.3470 1.3452 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7355 1.2368 1.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5294 1.9207 1.9760 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8400 -1.1475 3.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4339 -1.1113 2.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 0.0421 1.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9519 -1.8733 -0.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7813 -0.5713 -1.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2998 -0.7426 -0.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4588 1.2154 -0.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9463 1.9781 -0.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5601 2.1576 0.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8834 -1.1868 -1.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6696 -1.8254 -1.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3118 -3.5783 -2.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3748 -2.8007 -3.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3163 -2.2751 -3.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0194 -1.0875 -1.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5355 -0.3613 -1.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6500 2.6887 -1.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4993 1.8467 -2.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6795 2.5298 -1.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5071 -0.2226 0.6081 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2007 1.6712 1.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9322 -0.2149 2.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8044 1.6869 2.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6341 -1.6791 0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1982 -1.2976 2.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1272 1.4802 1.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 3 5 1 0 3 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 10 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 13 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 2 0 29 6 1 0 27 8 1 0 24 15 1 0 1 31 1 0 1 32 1 0 2 33 1 0 4 34 1 0 4 35 1 0 4 36 1 0 5 37 1 0 5 38 1 0 5 39 1 0 7 40 1 0 9 41 1 0 12 42 1 0 12 43 1 0 12 44 1 0 15 45 1 0 17 46 1 0 18 47 1 0 18 48 1 0 19 49 1 0 20 50 1 0 21 51 1 0 22 52 1 0 23 53 1 0 24 54 1 0 25 55 1 0 26 56 1 0 M END