HMDB0132498 RDKit 3D 6-[4-(carboxymethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 39 40 0 0 0 0 0 0 0 0999 V2000 5.3901 -1.1997 -0.4795 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9764 -0.2862 0.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3468 -0.3031 0.2591 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2027 0.8172 0.7192 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7435 0.6775 0.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9183 0.0103 1.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5503 -0.1138 1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9519 0.4253 0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3714 0.3658 -0.3063 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4153 -0.2444 0.4009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8923 -1.2871 -0.3725 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2477 -1.4928 -0.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6210 -2.7360 -0.9569 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8214 -3.1038 -0.9631 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7045 -3.5318 -1.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9166 -0.3268 -0.9639 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2670 -0.5861 -1.0115 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5780 0.9166 -0.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4136 1.9433 -1.1341 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4323 0.7985 0.7265 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 2.0665 0.8093 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 1.1019 -0.8641 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1571 1.2231 -0.6348 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8171 0.2845 0.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 1.7889 0.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4422 0.8297 1.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3718 -0.4248 2.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9472 -0.6358 1.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9921 -0.7002 1.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5266 -1.5177 0.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5922 -4.4856 -1.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4693 -0.2688 -1.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8104 -0.0370 -0.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5183 1.1983 0.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0146 2.7464 -0.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7975 0.6010 1.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1606 2.1908 0.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3831 1.5465 -1.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8143 1.7490 -1.3227 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 12 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 8 22 1 0 22 23 2 0 23 5 1 0 20 10 1 0 3 24 1 0 4 25 1 0 4 26 1 0 6 27 1 0 7 28 1 0 10 29 1 0 12 30 1 0 15 31 1 0 16 32 1 0 17 33 1 0 18 34 1 0 19 35 1 0 20 36 1 0 21 37 1 0 22 38 1 0 23 39 1 0 M END