HMDB0030555 RDKit 3D Tocopheronic acid 43 43 0 0 0 0 0 0 0 0999 V2000 -5.3525 0.9891 1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9665 0.7111 0.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6169 -0.4550 0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6082 -1.5425 -0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2296 -0.6893 -0.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9711 -1.8248 -0.8133 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1965 0.3305 -0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2218 0.0818 -0.6415 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8304 -1.0160 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2177 -1.4137 -0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4435 -1.8590 -1.5777 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3719 -2.6765 0.5786 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 -0.6166 0.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4848 0.7963 -0.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7597 1.3242 0.5884 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1152 2.5148 0.3974 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5566 0.5328 1.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5565 1.5146 0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4968 2.5558 0.4603 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9360 1.7401 0.7462 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2158 2.8787 1.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4657 2.0822 1.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1097 0.7038 0.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4949 0.4973 2.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6152 -1.1796 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6149 -2.2275 0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2710 -2.1755 -0.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7079 1.0643 -0.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1622 -0.1644 -1.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1921 -1.9340 -0.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7172 -0.8708 1.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 -2.6023 -1.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5447 -1.0165 -2.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4224 -2.4039 -1.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3294 -2.8901 0.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4264 -0.6377 1.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3011 -1.1369 0.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5512 0.8739 -1.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7127 1.4388 0.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4393 0.1282 1.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3044 2.2142 1.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9745 3.4326 0.9873 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1454 2.9275 -0.5119 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 3 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 10 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 7 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 20 2 1 0 1 22 1 0 1 23 1 0 1 24 1 0 4 25 1 0 4 26 1 0 4 27 1 0 8 28 1 0 8 29 1 0 9 30 1 0 9 31 1 0 11 32 1 0 11 33 1 0 11 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 17 40 1 0 19 41 1 0 19 42 1 0 19 43 1 0 M END