HMDB0245416 RDKit 3D 2,3-Epoxyphylloquinone 80 82 0 0 0 0 0 0 0 0999 V2000 3.2363 -1.8890 2.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6534 -0.7293 1.3793 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3437 0.3975 1.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6961 0.5273 1.9409 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6698 0.8554 0.8193 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6117 -0.2716 -0.1491 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7670 0.0923 0.5254 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3560 -0.8837 1.5358 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7932 0.7250 -0.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9013 0.1311 -0.5546 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6443 2.0269 -0.9753 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5943 2.5395 -1.8337 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4295 3.7706 -2.4274 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2739 4.4688 -2.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3216 3.9666 -1.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4886 2.7391 -0.6827 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4923 2.1852 0.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4897 2.9068 0.4665 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2869 -0.8170 0.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3202 -1.1231 1.7919 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -1.2123 1.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5322 -2.2256 0.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9572 -2.0139 -0.9262 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0633 -2.1212 0.3516 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6828 -3.1068 -0.5643 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1524 -3.1070 -0.6592 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8923 -1.9098 -1.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5483 -1.3810 -2.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2860 -0.9513 -0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0269 0.2647 -0.3838 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4870 1.4007 -1.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4100 2.2080 -0.4995 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8536 2.8235 0.8251 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0610 1.6313 -0.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3738 -1.5395 3.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2318 -2.1923 1.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6029 -2.7834 2.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8929 1.2304 0.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6312 1.3547 2.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9144 -0.4229 2.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6044 -1.4926 2.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9344 -0.2814 2.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0820 -1.5269 0.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4945 1.9916 -2.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1444 4.2140 -3.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1146 5.4551 -2.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4034 4.5216 -1.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3436 -1.6262 -0.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1168 0.1295 0.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4110 -0.2787 2.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6572 -2.0223 2.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4983 -0.1922 1.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -1.4321 2.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2576 -3.2426 0.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5971 -0.9528 -0.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7946 -2.0143 -1.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2559 -2.7671 -1.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4438 -2.2800 1.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2161 -1.0622 0.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1833 -3.2297 -1.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4293 -4.1312 -0.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4387 -4.0312 -1.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5406 -3.3730 0.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9810 -2.4225 -1.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4513 -0.9507 -2.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7777 -0.6086 -2.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2497 -2.2016 -3.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9589 -1.5316 0.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3943 -0.7610 0.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9433 -0.1025 -0.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5742 0.6889 0.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2065 1.2020 -2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3909 2.1181 -1.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2900 3.1309 -1.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1904 3.6918 1.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6818 2.1234 1.6689 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8842 3.1773 0.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2666 2.4343 -0.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9689 1.1139 0.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7092 0.9576 -1.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 2 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 7 5 1 0 16 11 1 0 17 5 1 0 1 35 1 0 1 36 1 0 1 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 8 41 1 0 8 42 1 0 8 43 1 0 12 44 1 0 13 45 1 0 14 46 1 0 15 47 1 0 19 48 1 0 19 49 1 0 20 50 1 0 20 51 1 0 21 52 1 0 21 53 1 0 22 54 1 0 23 55 1 0 23 56 1 0 23 57 1 0 24 58 1 0 24 59 1 0 25 60 1 0 25 61 1 0 26 62 1 0 26 63 1 0 27 64 1 0 28 65 1 0 28 66 1 0 28 67 1 0 29 68 1 0 29 69 1 0 30 70 1 0 30 71 1 0 31 72 1 0 31 73 1 0 32 74 1 0 33 75 1 0 33 76 1 0 33 77 1 0 34 78 1 0 34 79 1 0 34 80 1 0 M END