HMDB0127744 RDKit 3D 6-[5-(4-carboxy-2-hydroxybutyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-car... 50 51 0 0 0 0 0 0 0 0999 V2000 5.3076 -0.5796 -4.4809 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6964 -1.1385 -3.4431 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0074 -1.5190 -3.3115 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7435 -1.3910 -2.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4797 -0.0672 -1.6623 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5043 -0.3204 -0.5428 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9722 -1.2120 0.3904 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0074 0.9559 0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 0.6451 1.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4934 0.4592 2.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6220 0.1682 3.5014 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2735 0.0522 3.2669 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6343 -0.2400 4.2808 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1777 0.2392 1.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5419 0.1076 1.7926 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2724 0.2332 0.6259 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2126 1.2684 0.6785 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9608 1.2079 -0.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5491 2.4927 -0.8649 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2500 2.5854 -1.8948 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3385 3.6117 -0.0876 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0951 0.2336 -0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6381 -0.2594 -1.4018 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5216 -0.9058 0.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0843 -2.1267 0.1394 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0283 -1.0566 0.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8402 -1.4832 -0.9657 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6953 0.5296 0.9263 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6805 -1.0936 -2.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1681 -2.1475 -1.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7942 -1.8232 -2.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0624 0.6242 -2.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4036 0.3697 -1.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5951 -0.7999 -1.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9113 -1.0884 0.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8762 1.4866 0.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6049 1.6376 -0.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5660 0.5534 2.6467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9867 0.0237 4.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6044 -0.3202 4.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6237 0.4687 -0.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3185 0.7713 -1.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4159 4.0622 -0.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8571 0.7393 0.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1654 0.4304 -1.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7442 -0.7854 1.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0649 -2.0591 0.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6575 -1.8191 1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2409 -2.3955 -1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3247 0.6738 -0.1008 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 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 18 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 14 28 2 0 28 9 1 0 26 16 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 13 40 1 0 16 41 1 0 18 42 1 0 21 43 1 0 22 44 1 0 23 45 1 0 24 46 1 0 25 47 1 0 26 48 1 0 27 49 1 0 28 50 1 0 M END