HMDB0012867 RDKit 3D 9'-Carboxy-alpha-tocotrienol 62 63 0 0 0 0 0 0 0 0999 V2000 2.6741 -2.7039 -0.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4824 -1.2402 0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4744 -0.8237 0.8199 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5434 -1.7309 1.5216 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8954 -1.5267 1.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4005 -1.6550 -0.1267 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1538 -3.0093 -0.7538 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9755 -0.5960 -1.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3945 0.7902 -0.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8615 0.7793 -0.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5774 1.9587 -0.5381 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8532 3.2154 -0.8508 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9439 1.9412 -0.3567 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7046 3.0823 -0.4565 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5884 0.7466 -0.0641 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0710 0.6992 0.1375 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8979 -0.4335 0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5784 -1.7001 0.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 -0.3903 -0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8537 -1.5969 -0.0122 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3684 -0.2514 -0.6175 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8093 -0.4104 -0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6928 0.5724 -0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4020 1.4558 -0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3255 1.4798 1.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2529 2.3985 -0.8541 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2950 2.3523 -2.1028 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9853 3.3131 -0.1078 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3734 -2.9108 -0.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7662 -3.2647 -0.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1323 -3.1117 0.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3218 0.2442 0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8662 -2.7983 1.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6961 -1.5000 2.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1347 -0.4640 1.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5262 -2.1376 1.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0282 -3.2501 -1.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0481 -3.8097 0.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2923 -2.9810 -1.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5321 -0.7909 -2.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0813 -0.6439 -1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8291 1.0701 0.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 1.4838 -1.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3013 4.0888 -0.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7766 3.3958 -1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8019 3.1197 -0.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3099 3.9686 -0.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5440 1.6594 -0.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2532 0.3858 1.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4387 -0.1443 -0.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8081 -2.3758 0.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4345 -1.5824 1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8631 -2.1859 -0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0694 0.7871 -0.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3497 -0.3869 -1.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9325 -0.3515 0.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1339 -1.4343 -0.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7728 0.5827 -1.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9170 2.3354 1.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2599 1.6847 1.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7281 0.5761 1.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5556 4.0254 -0.5518 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 6 5 1 1 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 2 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 26 27 2 0 26 28 1 0 20 6 1 0 19 10 1 0 1 29 1 0 1 30 1 0 1 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 7 37 1 0 7 38 1 0 7 39 1 0 8 40 1 0 8 41 1 0 9 42 1 0 9 43 1 0 12 44 1 0 12 45 1 0 12 46 1 0 14 47 1 0 16 48 1 0 16 49 1 0 16 50 1 0 18 51 1 0 18 52 1 0 18 53 1 0 21 54 1 0 21 55 1 0 22 56 1 0 22 57 1 0 23 58 1 0 25 59 1 0 25 60 1 0 25 61 1 0 28 62 1 0 M END