HMDB0034085 RDKit 3D (3R)-3,4-Dihydroxy-3-(hydroxymethyl)butanenitrile 4-glucoside 39 39 0 0 0 0 0 0 0 0999 V2000 3.3071 2.7037 0.9614 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1378 1.5776 1.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8983 0.1414 1.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9172 -0.5571 0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6933 -1.9295 0.2452 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2429 -0.3611 -0.5891 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2337 -0.8829 0.2074 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7724 -0.0120 -0.7407 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5824 -0.2213 -0.0449 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5236 0.2654 -0.7398 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1813 1.2707 -0.0843 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1063 0.9258 0.8343 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9114 2.1589 1.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5512 2.6785 0.0717 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1253 -0.0902 0.3299 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0493 -0.3758 1.2992 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2916 -1.3364 0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0702 -2.3945 -0.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3752 -0.9110 -1.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0888 -0.6470 -2.2743 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 -0.2994 2.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9127 -0.0396 1.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3486 -2.2627 -0.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3953 0.7442 -0.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2726 -0.8829 -1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8730 -1.5158 0.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9007 1.0832 -0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7307 -0.4854 -1.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1331 0.6989 -1.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6766 0.5059 1.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2437 2.9836 1.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6240 1.9535 2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 2.5276 -0.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5741 0.2415 -0.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2584 -1.3608 1.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6835 -1.6200 0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3288 -2.3106 -1.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7019 -1.7830 -1.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5155 -0.1815 -2.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 2 3 1 0 3 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 4 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 12 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 10 1 0 3 21 1 0 3 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 7 26 1 0 8 27 1 0 8 28 1 0 10 29 1 0 12 30 1 0 13 31 1 0 13 32 1 0 14 33 1 0 15 34 1 0 16 35 1 0 17 36 1 0 18 37 1 0 19 38 1 0 20 39 1 0 M END