HMDB0034754 RDKit 3D 4-Methoxybenzyl O-(2-sulfoglucoside) 45 46 0 0 0 0 0 0 0 0999 V2000 6.2789 -0.3255 0.9443 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2037 -1.2130 0.8041 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0472 -0.8163 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9629 0.4400 -0.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8191 0.8578 -1.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7443 0.0120 -1.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5523 0.4920 -1.9528 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6502 0.0384 -1.4364 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8579 0.4315 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -0.7225 0.6532 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 -1.5710 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7646 -2.9758 0.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0782 -3.0607 1.8590 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1908 -0.9602 0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9986 -1.7845 0.8751 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1645 0.4063 0.7108 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4427 0.9109 0.6377 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1393 1.2685 0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8056 2.3935 0.7070 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9968 3.8181 -0.1326 S 0 0 0 0 0 6 0 0 0 0 0 0 -2.6859 4.8796 0.6767 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6220 4.3488 -0.4418 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7648 3.5798 -1.6107 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8248 -1.2550 -0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9726 -1.6778 -0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0569 -0.6989 1.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8764 0.6537 1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7541 -0.1755 -0.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7707 1.1681 -0.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7974 1.8619 -1.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5939 0.1315 -3.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5235 1.6011 -1.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 1.0203 0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5539 -1.6429 -1.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6887 -3.2925 0.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3380 -3.6457 -0.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7257 -3.8223 1.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6686 -0.8810 -0.9477 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8106 -1.4929 1.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 0.2826 1.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6673 1.3494 -0.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4916 1.4515 -1.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1220 3.2344 -2.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0186 -1.9638 -0.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0686 -2.6540 0.4013 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 11 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 2 0 20 23 1 0 6 24 1 0 24 25 2 0 25 3 1 0 18 9 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 5 30 1 0 7 31 1 0 7 32 1 0 9 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 14 38 1 0 15 39 1 0 16 40 1 0 17 41 1 0 18 42 1 0 23 43 1 0 24 44 1 0 25 45 1 0 M END