HMDB0030008 RDKit 3D delta-Tocotrienol 69 70 0 0 0 0 0 0 0 0999 V2000 10.7316 0.3181 -0.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2938 0.6729 0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8702 2.0927 -0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4004 -0.2454 0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9746 0.1213 0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1308 -0.6577 -0.4454 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6868 -0.2946 -0.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2452 1.1042 -0.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7870 -1.1952 0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3433 -0.8012 0.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5631 -1.5847 -0.8128 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0797 -1.2899 -0.7475 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -1.9911 -1.7399 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3368 -0.4342 0.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7161 -0.0084 0.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8432 -0.6528 -0.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1246 0.0624 0.1524 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9880 1.5167 -0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3473 -0.1425 1.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6552 -0.7303 2.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7544 -0.2644 1.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0210 0.0068 1.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0204 0.4150 0.8245 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2698 0.6777 1.4023 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7959 0.5532 -0.5209 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5495 0.2802 -1.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2779 0.4201 -2.4827 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5098 -0.1304 -0.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2256 -0.4208 -0.6534 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0104 -0.4803 0.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3167 1.2158 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9459 0.0126 -1.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1023 2.1700 -0.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4262 2.4835 0.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7408 2.7216 -0.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7263 -1.2782 0.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6268 -0.1202 1.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8370 1.1957 0.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4332 -0.3762 -1.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2925 -1.7271 -0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4872 1.1907 -1.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8530 1.5562 0.4758 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1123 1.7154 -0.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0404 -2.2181 0.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2426 0.2969 0.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0754 -1.0432 1.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8838 -1.2061 -1.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7322 -2.6615 -0.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1029 -2.7510 -2.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5634 -2.6139 -1.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0888 -1.3474 -2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4613 0.0203 0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6937 1.1242 0.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9273 0.0185 1.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8781 -0.6350 -1.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0071 -1.7002 0.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4970 1.5606 -1.2025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4398 2.0985 0.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0262 1.9194 -0.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5722 -0.8215 2.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2217 0.8165 2.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5465 -1.8574 1.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8335 -0.4557 3.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1830 -0.1074 2.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4906 1.6087 1.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5840 0.8689 -1.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9164 -0.5406 -2.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4677 1.1749 -2.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1814 0.7743 -3.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 15 16 1 0 17 16 1 6 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 23 25 2 0 25 26 1 0 26 27 1 0 26 28 2 0 28 29 1 0 29 17 1 0 28 21 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 5 37 1 0 5 38 1 0 6 39 1 0 6 40 1 0 8 41 1 0 8 42 1 0 8 43 1 0 9 44 1 0 10 45 1 0 10 46 1 0 11 47 1 0 11 48 1 0 13 49 1 0 13 50 1 0 13 51 1 0 14 52 1 0 15 53 1 0 15 54 1 0 16 55 1 0 16 56 1 0 18 57 1 0 18 58 1 0 18 59 1 0 19 60 1 0 19 61 1 0 20 62 1 0 20 63 1 0 22 64 1 0 24 65 1 0 25 66 1 0 27 67 1 0 27 68 1 0 27 69 1 0 M END