HMDB0041098 RDKit 3D 2-Hydroxy-3-methyl-4H-pyran-4-one O-(6E-cinnamoyl-b-D-glucoside) 52 54 0 0 0 0 0 0 0 0999 V2000 -6.0229 -2.1953 0.7845 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9778 -1.1459 -0.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8582 -0.3518 -0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8310 -0.5569 0.4448 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6108 0.1376 0.4852 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6078 -0.7866 0.2772 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3526 -0.2150 0.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6137 -1.3794 -0.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9357 -0.9599 -0.3187 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3611 -0.1275 -1.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4896 0.2826 -2.1365 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7859 0.2701 -1.4581 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6314 -0.2014 -0.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0511 0.0741 -0.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6245 0.8813 -1.4714 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9866 1.1362 -1.4257 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7592 0.5741 -0.4389 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1907 -0.2432 0.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8582 -0.4911 0.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 0.4480 1.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0174 -0.4930 2.4620 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0100 1.5272 1.6737 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 2.2318 2.8112 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3617 0.8458 1.7814 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2874 1.8378 2.0577 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8760 0.5421 -1.3761 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8967 0.6937 -2.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0428 -0.0595 -2.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0747 -1.0247 -1.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0867 -1.7520 -0.9902 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7647 -2.9565 0.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2910 -1.6359 1.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0069 -2.6256 0.9469 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6429 0.8947 -0.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3199 0.5275 -0.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5034 -2.1013 0.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3194 -1.9442 -1.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1174 0.9115 -2.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2343 -0.8616 0.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0270 1.3342 -2.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3935 1.7877 -2.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8430 0.7840 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8356 -0.6650 1.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3880 -1.1389 1.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0008 0.9103 1.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5847 -1.2700 2.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9793 2.2106 0.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8895 3.2071 2.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2865 0.0876 2.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8896 1.4832 2.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8703 1.4535 -2.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8428 0.1078 -2.7972 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 7 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 3 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 29 2 1 0 24 5 1 0 19 14 1 0 1 31 1 0 1 32 1 0 1 33 1 0 5 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 12 38 1 0 13 39 1 0 15 40 1 0 16 41 1 0 17 42 1 0 18 43 1 0 19 44 1 0 20 45 1 0 21 46 1 0 22 47 1 0 23 48 1 0 24 49 1 0 25 50 1 0 27 51 1 0 28 52 1 0 M END