HMDB0033068 RDKit 3D (±)-threo-1-(p-Hydroxyphenyl)propylene glycol 4'-glucoside 45 46 0 0 0 0 0 0 0 0999 V2000 6.7248 0.0609 0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2344 -0.1645 0.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8988 -0.9568 -0.9401 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4872 1.1540 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8651 1.7754 -1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0288 0.8701 0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2714 1.1418 1.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 0.8653 1.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2828 0.3199 0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 0.0731 0.1217 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9060 -0.4629 -0.8391 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 0.4907 -1.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0952 0.2177 -0.6857 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0544 1.3319 -0.8946 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2878 0.9507 -0.3197 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9145 -0.1394 0.7692 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0944 0.0084 1.4937 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4598 -1.6023 0.7686 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9060 -1.9822 1.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5479 -1.7638 -0.4181 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5274 -2.6595 -0.1417 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0496 0.0540 -1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4233 0.3246 -1.0728 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2044 -0.9112 0.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9990 0.7982 0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0321 0.4385 -0.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9573 -0.6911 1.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5144 -1.8428 -0.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7850 1.8433 0.8299 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4154 2.6399 -1.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7737 1.5678 2.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3771 1.1032 2.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3182 -0.6906 -1.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4890 -0.6739 -1.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2654 1.3969 -1.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7187 2.3068 -0.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7659 0.3159 -0.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0912 0.4483 1.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9306 0.6461 2.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3791 -2.2087 0.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6374 -1.1529 2.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1091 -2.1757 -1.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5285 -2.8186 0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6484 -0.3715 -1.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0440 0.1251 -1.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 4 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 12 13 1 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 9 22 1 0 22 23 2 0 23 6 1 0 20 11 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 3 28 1 0 4 29 1 0 5 30 1 0 7 31 1 0 8 32 1 0 11 33 1 0 13 34 1 0 14 35 1 0 14 36 1 0 15 37 1 0 16 38 1 0 17 39 1 0 18 40 1 0 19 41 1 0 20 42 1 0 21 43 1 0 22 44 1 0 23 45 1 0 M END