HMDB0039860 RDKit 3D Propylene glycol alginate 58 59 0 0 0 0 0 0 0 0999 V2000 7.1189 1.0765 1.3343 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2214 0.6366 0.3667 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9069 0.6914 0.8453 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4615 -0.5833 0.9521 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4921 -1.0171 0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0210 -1.2323 -1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2835 -1.6228 -2.1826 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3550 -1.0037 -1.4977 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3248 -0.0664 0.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2087 -0.5021 -0.4928 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0843 -0.6343 0.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9241 0.2107 0.0209 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9491 -0.2404 -0.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0852 0.7262 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0394 1.7680 0.0672 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2335 0.4546 -1.3096 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4196 1.1415 -1.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1648 1.2518 -0.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5060 1.9463 -0.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4274 1.9284 0.8454 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5037 -1.5897 -0.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8959 -1.4806 1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3246 -2.5468 -0.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6825 -3.8478 -0.1558 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2436 -2.0838 0.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5918 -2.4368 1.7463 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7866 1.2375 -0.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7703 1.0654 -1.8232 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1588 1.6349 -0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9110 2.0357 -1.1523 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9997 0.3974 2.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 2.1020 1.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1569 1.0883 0.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9898 1.0896 1.9038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1975 -2.0470 0.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0741 -1.7119 -1.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0877 0.0880 1.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4418 -0.3272 1.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7206 -0.3329 -1.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0973 0.6052 -2.1295 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2798 2.1666 -1.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3952 0.1964 0.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7787 2.5026 0.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2792 1.1727 -0.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4739 2.6042 -1.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2757 1.3865 1.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3398 -1.8477 -0.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 -0.7871 1.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9795 -2.4620 1.6613 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9241 -1.0347 1.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0244 -2.5027 -1.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7845 -3.9528 0.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6706 -2.7066 0.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2043 -2.7300 2.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0132 2.0105 -0.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9341 1.3505 -2.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0526 2.6019 0.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8766 2.0082 -0.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 5 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 13 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 9 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 29 3 1 0 25 11 1 0 1 31 1 0 1 32 1 0 1 33 1 0 3 34 1 0 5 35 1 0 8 36 1 0 9 37 1 0 11 38 1 0 13 39 1 0 17 40 1 0 17 41 1 0 18 42 1 0 19 43 1 0 19 44 1 0 19 45 1 0 20 46 1 0 21 47 1 0 22 48 1 0 22 49 1 0 22 50 1 0 23 51 1 0 24 52 1 0 25 53 1 0 26 54 1 0 27 55 1 0 28 56 1 0 29 57 1 0 30 58 1 0 M END