HMDB0128026 RDKit 3D 6-[3-(2-carboxyethyl)-5-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 43 44 0 0 0 0 0 0 0 0999 V2000 5.5642 0.0206 -2.9979 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3883 0.8031 -2.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1066 1.9832 -1.9591 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4111 0.4942 -0.9696 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7219 -0.8272 -1.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7621 -1.0737 -0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1823 -1.7511 1.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3139 -2.0002 2.0589 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 -2.6845 3.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9969 -1.5480 1.9571 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5668 -0.8698 0.8387 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7217 -0.4474 0.7804 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3776 0.2464 -0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4869 -0.4755 -0.7285 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3695 0.4232 -1.2875 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2771 -0.1714 -2.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2120 -1.3899 -2.5406 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2178 0.6034 -2.9166 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2239 0.9946 -0.1534 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2038 0.0593 0.1405 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2548 1.1835 1.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0728 -0.0403 1.6871 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9187 1.5382 0.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0042 1.9250 1.4001 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4521 -0.6406 -0.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7949 2.0866 -1.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9825 0.4051 -0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6731 1.3055 -0.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 -0.8021 -2.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4481 -1.6518 -1.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1985 -2.1133 1.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7189 -3.6750 3.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3386 -1.7609 2.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7747 0.4968 -1.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7895 1.2194 -1.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1312 0.2966 -3.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6809 1.9494 -0.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7682 0.3613 0.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6389 1.9687 1.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5499 -0.0648 2.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9689 2.3584 -0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1067 1.3794 2.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1512 -0.1143 -1.0719 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 2 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 15 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 11 25 2 0 25 6 1 0 23 13 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 7 31 1 0 9 32 1 0 10 33 1 0 13 34 1 0 15 35 1 0 18 36 1 0 19 37 1 0 20 38 1 0 21 39 1 0 22 40 1 0 23 41 1 0 24 42 1 0 25 43 1 0 M END