HMDB0127743 RDKit 3D 6-[4-(4-carboxy-2-hydroxybutyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-car... 50 51 0 0 0 0 0 0 0 0999 V2000 7.6157 2.4175 -0.6744 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8727 1.3949 -0.8854 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5200 0.2058 -1.0242 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4370 1.5877 -0.9594 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5801 0.3780 -0.7179 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7400 -0.1748 0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0435 -0.5646 0.8829 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8254 -1.3302 0.9538 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3829 -1.0021 0.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6808 -0.5372 1.9557 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3446 -0.2292 1.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4054 -0.3628 0.7131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7371 -0.0334 0.7345 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7262 -0.0379 -0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3165 1.2502 -0.1434 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4079 1.4164 -0.9378 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3207 2.3716 -0.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0273 2.8524 0.9184 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5194 2.7225 -0.7807 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1693 0.1550 -1.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4927 -0.5076 -2.2792 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1593 -0.6828 -0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6800 0.0471 1.0736 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7436 -1.1009 0.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6100 -1.3495 1.6228 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3066 -0.8254 -0.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3619 -0.9856 -1.5724 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6628 -1.1383 -0.3049 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2416 -0.5357 -1.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1609 2.1048 -1.9088 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1708 2.3476 -0.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9228 -0.3835 -1.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5092 0.6169 -0.9247 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5487 0.6718 1.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 -0.9385 1.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1171 -2.2033 0.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0681 -1.6373 2.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2594 -0.4307 2.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1916 0.1384 2.7765 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4629 -0.2966 -1.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1121 1.8830 -1.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3994 2.3333 -0.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2220 0.3836 -1.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0836 -0.6943 -3.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8104 -1.5650 -0.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9520 -0.6419 1.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5372 -2.0665 -0.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0477 -2.1973 1.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -1.3223 -2.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1934 -1.5034 -1.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 16 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 12 26 1 0 26 27 1 0 26 28 2 0 28 9 1 0 24 14 1 0 3 29 1 0 4 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 10 38 1 0 11 39 1 0 14 40 1 0 16 41 1 0 19 42 1 0 20 43 1 0 21 44 1 0 22 45 1 0 23 46 1 0 24 47 1 0 25 48 1 0 27 49 1 0 28 50 1 0 M END