HMDB0012561 RDKit 3D 13'-Hydroxy-gamma-tocopherol 79 80 0 0 0 0 0 0 0 0999 V2000 -7.0884 -2.0074 2.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7881 -1.3495 2.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6045 -1.9593 2.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5365 -3.1609 3.2361 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4357 -1.3184 2.1812 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4287 -0.1087 1.4862 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5990 0.5001 1.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7837 -0.1658 1.5124 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0651 0.4709 1.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6961 1.6891 0.4506 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4448 2.0498 -0.3135 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6912 3.4365 -0.7881 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3092 1.0457 -1.3559 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4235 0.8472 -2.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9865 0.6764 -2.5767 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0124 1.7086 -2.3643 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2239 2.3954 -1.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 1.2771 -2.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9074 0.0479 -2.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 -0.2537 -2.8104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8883 -1.4755 -2.2049 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2378 -1.7862 -2.7789 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0632 -1.3504 -0.6767 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9414 -0.2114 -0.3317 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1030 -0.0041 1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6915 -1.0682 1.9532 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0056 -2.3749 2.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8243 -0.4935 3.3828 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3806 -1.4595 4.2191 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4557 1.9759 0.8218 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1227 0.5342 1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8406 -1.1682 2.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0216 -2.5489 3.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3872 -2.6133 1.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3274 -3.6816 3.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4834 -1.7744 2.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9145 1.4013 0.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5429 0.7930 2.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7430 -0.2004 0.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2067 3.6517 -1.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1587 4.1324 -0.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7603 3.6640 -0.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3953 1.0838 -1.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4854 -0.0221 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7532 1.5877 -3.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8672 -0.1157 -3.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6569 -0.2940 -1.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 0.2491 -3.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2395 2.5483 -3.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2076 1.7593 -0.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2301 2.9220 -1.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4894 3.2425 -1.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3913 1.1795 -3.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0812 2.1184 -2.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2691 -0.8341 -2.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0502 0.2408 -1.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1219 -0.4421 -3.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9682 0.5963 -2.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2622 -2.3840 -2.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1993 -2.4836 -3.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7526 -0.8275 -3.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8789 -2.2785 -2.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0758 -1.3610 -0.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5833 -2.3004 -0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5990 0.7522 -0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9664 -0.3523 -0.8062 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7211 0.9387 1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1118 0.2704 1.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7595 -1.2155 1.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1285 -2.7257 3.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9425 -2.2775 1.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4682 -3.2127 1.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4818 0.3902 3.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8187 -0.2590 3.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2820 -1.7483 3.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0656 2.2750 1.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6642 2.6925 0.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6094 0.0210 0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5001 0.5035 2.0249 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 6 7 1 0 7 8 2 0 8 9 1 0 7 10 1 0 10 11 1 0 11 12 1 6 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 11 30 1 0 30 31 1 0 8 2 1 0 31 6 1 0 1 32 1 0 1 33 1 0 1 34 1 0 4 35 1 0 5 36 1 0 9 37 1 0 9 38 1 0 9 39 1 0 12 40 1 0 12 41 1 0 12 42 1 0 13 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 15 47 1 0 15 48 1 0 16 49 1 6 17 50 1 0 17 51 1 0 17 52 1 0 18 53 1 0 18 54 1 0 19 55 1 0 19 56 1 0 20 57 1 0 20 58 1 0 21 59 1 1 22 60 1 0 22 61 1 0 22 62 1 0 23 63 1 0 23 64 1 0 24 65 1 0 24 66 1 0 25 67 1 0 25 68 1 0 26 69 1 0 27 70 1 0 27 71 1 0 27 72 1 0 28 73 1 0 28 74 1 0 29 75 1 0 30 76 1 0 30 77 1 0 31 78 1 0 31 79 1 0 M END