HMDB0012558 RDKit 3D 13'-Carboxy-gamma-tocotrienol 72 73 0 0 0 0 0 0 0 0999 V2000 4.6992 0.3868 2.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2422 -0.4607 1.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3354 -1.4000 1.2677 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7562 -1.6192 2.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2488 -1.5151 2.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7096 -0.2236 2.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0422 1.0104 2.9413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0983 -0.1815 1.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6453 1.0914 0.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 1.2662 0.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9509 0.3511 -0.1113 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8330 -1.1112 0.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6704 0.4675 -1.5886 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8306 0.8597 -2.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1432 0.3909 -1.9862 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1583 0.0073 -2.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3857 -0.4272 -2.3841 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4001 -0.8116 -3.2836 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6021 -0.4783 -1.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8866 -0.9306 -0.4477 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5917 -0.0962 -0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8170 -0.1479 1.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3683 0.3368 -0.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3143 0.7329 0.1753 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8300 -0.2409 -0.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3381 -0.4634 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9688 -0.2620 -1.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8995 0.6718 -1.6919 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3414 1.5486 -0.5676 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4742 0.8086 -3.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3470 1.6760 -3.2067 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0753 0.0032 -4.0774 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4467 1.1568 1.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2808 -0.2106 2.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8872 0.9614 2.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0357 -1.9981 0.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2267 -1.0210 3.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9780 -2.6924 2.8708 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8473 -1.8010 3.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8899 -2.3545 1.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6313 1.7366 2.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0723 1.4856 3.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5825 0.7838 3.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2964 -1.1042 0.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3232 1.3246 -0.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1961 1.9681 1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5309 1.2094 1.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3676 2.3065 0.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2528 -1.6926 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8777 -1.5518 0.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5414 -1.3044 1.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8505 1.2322 -1.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2438 -0.4694 -2.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8740 1.9882 -2.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7094 0.5833 -3.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9980 0.0440 -3.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2792 -0.7874 -4.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6495 -1.8358 0.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5556 -1.2765 -1.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3562 -0.1884 0.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2310 -1.1382 1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5317 0.6651 1.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8917 -0.0030 1.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3905 -0.9218 -1.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6069 0.8108 -0.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7377 0.3029 0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5653 -1.4898 0.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6568 -0.8913 -2.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4992 2.1574 -0.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7910 0.9375 0.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1145 2.2207 -0.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8155 -0.3825 -4.6606 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 6 8 2 0 8 9 1 0 9 10 1 0 11 10 1 1 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 2 0 23 24 1 0 2 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 28 30 1 0 30 31 2 0 30 32 1 0 24 11 1 0 23 15 1 0 1 33 1 0 1 34 1 0 1 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 7 41 1 0 7 42 1 0 7 43 1 0 8 44 1 0 9 45 1 0 9 46 1 0 10 47 1 0 10 48 1 0 12 49 1 0 12 50 1 0 12 51 1 0 13 52 1 0 13 53 1 0 14 54 1 0 14 55 1 0 16 56 1 0 18 57 1 0 20 58 1 0 20 59 1 0 20 60 1 0 22 61 1 0 22 62 1 0 22 63 1 0 25 64 1 0 25 65 1 0 26 66 1 0 26 67 1 0 27 68 1 0 29 69 1 0 29 70 1 0 29 71 1 0 32 72 1 0 M END