HMDB0299070 RDKit 3D DG(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/i-15:0/0:0) 113112 0 0 0 0 0 0 0 0999 V2000 18.1456 -0.4631 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0991 -0.1142 -0.9685 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9769 -1.0691 -0.8951 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7538 -0.6917 -0.6352 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3345 0.6797 -0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2970 1.0235 -1.4728 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8276 0.9130 -2.7458 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1259 0.1740 -1.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3879 0.3561 -0.1202 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2281 -0.4674 0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5130 -0.2788 1.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7485 0.7007 2.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8518 1.7737 2.5743 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7450 2.0790 1.9991 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1502 1.4245 0.8998 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9593 1.8360 0.3779 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3827 1.1061 -0.7788 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8255 -0.1138 -0.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5810 1.9057 -1.6879 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3833 2.3261 -1.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7879 2.0262 -0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4896 1.2633 -0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5749 -0.0823 -0.7294 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1883 -0.6922 -0.6636 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5854 -0.5414 -1.6392 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2020 -1.3941 0.4488 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4344 -1.9771 0.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5505 -0.9493 0.4802 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3335 0.1740 1.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3183 1.1338 1.4051 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7414 -1.6632 0.6790 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7273 -1.7702 -0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5898 -1.2186 -1.4031 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9252 -2.5759 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9573 -2.7156 -0.9503 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6110 -1.4735 -1.4503 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3276 -0.6980 -0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4113 -1.5148 0.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4821 -1.9894 -0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4734 -2.7956 0.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1825 -2.1787 1.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0935 -1.0526 1.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6641 0.2488 0.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9292 1.1613 0.6231 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6107 2.5218 0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8578 3.3643 0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1391 2.4863 -1.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7210 -0.1072 1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0864 0.0589 -0.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2041 -1.5496 0.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7951 0.9162 -0.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5967 -0.1454 -1.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1901 -2.1616 -1.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9545 -1.4604 -0.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0792 1.4546 -0.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7875 0.6975 0.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0651 2.1123 -1.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5821 1.5399 -2.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8346 -0.6055 -1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7406 1.1568 0.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9536 -1.2411 -0.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 -0.9930 1.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8116 0.0669 3.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8283 1.0434 2.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2037 2.4082 3.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1974 2.9571 2.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5633 0.5917 0.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5276 2.6865 0.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2970 0.7839 -1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0150 -0.3461 0.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9102 2.2082 -2.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7771 2.9343 -2.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5374 3.0147 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4543 1.5223 0.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2111 1.0868 0.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 1.8990 -0.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2076 -0.7948 -0.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8591 -0.0882 -1.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6255 -2.6960 -0.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5721 -2.5745 1.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6141 -0.5300 -0.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3787 0.6867 1.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1707 -0.1368 2.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0936 0.9754 1.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5276 -3.5976 0.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3185 -2.2230 1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5550 -3.3557 -1.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7857 -3.3462 -0.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3349 -1.6643 -2.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8287 -0.8199 -1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6805 -0.3010 0.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8309 0.1633 -0.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0262 -2.4154 0.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9432 -0.9164 1.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0066 -2.7618 -1.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8392 -1.1409 -1.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8570 -3.6540 0.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1570 -3.3775 -0.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7839 -2.9988 1.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3868 -1.9664 2.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0283 -1.3420 0.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5716 -0.8930 2.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8861 0.7935 1.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4474 0.2214 -0.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1649 1.2553 1.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7830 0.6799 0.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8271 3.0317 0.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8720 4.0418 -0.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7279 2.6965 0.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8531 3.9838 1.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3916 1.5343 -1.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0438 2.7198 -1.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6464 3.3000 -1.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 28 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 45 47 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 4 54 1 0 5 55 1 0 5 56 1 0 6 57 1 1 7 58 1 0 8 59 1 0 9 60 1 0 10 61 1 0 11 62 1 0 12 63 1 0 12 64 1 0 13 65 1 0 14 66 1 0 15 67 1 0 16 68 1 0 17 69 1 6 18 70 1 0 19 71 1 0 20 72 1 0 21 73 1 0 21 74 1 0 22 75 1 0 22 76 1 0 23 77 1 0 23 78 1 0 27 79 1 0 27 80 1 0 28 81 1 6 29 82 1 0 29 83 1 0 30 84 1 0 34 85 1 0 34 86 1 0 35 87 1 0 35 88 1 0 36 89 1 0 36 90 1 0 37 91 1 0 37 92 1 0 38 93 1 0 38 94 1 0 39 95 1 0 39 96 1 0 40 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 42101 1 0 42102 1 0 43103 1 0 43104 1 0 44105 1 0 44106 1 0 45107 1 0 46108 1 0 46109 1 0 46110 1 0 47111 1 0 47112 1 0 47113 1 0 M END