HMDB0298324 RDKit 3D DG(i-12:0/0:0/20:4(6E,8Z,11Z,14Z)-OH(5S)) 101100 0 0 0 0 0 0 0 0999 V2000 11.8726 3.1549 2.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2262 2.6519 1.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7888 2.2896 1.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0740 1.7937 0.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7144 0.5347 -0.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7265 -0.5659 0.4208 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1549 -1.7359 0.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4100 -2.0967 -0.9314 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9969 -2.3813 -0.9062 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1221 -2.3346 0.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3026 -1.9687 1.4192 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6490 -0.8298 2.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8838 0.0655 1.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5227 0.1033 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6987 1.1047 -0.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2710 1.2295 -1.6839 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0190 2.2091 -2.3289 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2894 -0.0286 -2.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4054 -1.1240 -1.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9471 -0.6799 -1.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0918 -1.7861 -1.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6373 -2.8638 -1.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2632 -1.6379 -1.2912 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 -2.6526 -0.8133 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6956 -2.9716 0.6301 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5648 -3.9788 1.0291 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9155 -1.6927 1.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1924 -1.1993 1.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4088 -1.6966 1.4552 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5014 -2.7877 2.0461 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6977 -0.9899 1.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8481 -1.8429 1.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2044 -1.3582 1.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7493 -0.1390 1.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1669 1.1849 1.6101 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0726 1.5910 0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3761 1.6526 -0.5536 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3512 2.6311 0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6258 2.5737 -0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3213 2.9506 -2.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1376 1.1632 -0.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9778 4.2467 2.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9192 2.7487 2.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2706 2.8557 3.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8462 1.8254 0.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2504 3.4736 0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7349 1.4975 2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2544 3.1553 1.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9961 1.7155 0.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2386 2.5808 -0.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7932 0.8309 -0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2897 0.3683 -1.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2680 -0.4220 1.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3212 -2.4899 1.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6551 -1.3830 -1.7912 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9730 -3.0502 -1.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5923 -2.7088 -1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0659 -2.6902 -0.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3732 -2.0432 1.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8606 -2.9124 2.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8382 -0.7017 3.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4739 0.8759 2.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8596 -0.5662 -0.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3547 1.8118 0.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2002 1.6000 -1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3644 1.8247 -3.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9739 0.2608 -3.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3240 -0.3958 -2.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7205 -1.5399 -0.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4517 -1.9616 -2.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5795 -0.4120 -2.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8739 0.1389 -1.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1224 -2.2312 -0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0672 -3.5697 -1.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6417 -3.3206 0.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9801 -4.4715 0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 -1.9165 2.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1198 -0.9593 1.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6792 -0.9274 -0.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6828 0.0365 1.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7355 -2.7973 0.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6927 -2.2432 2.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8997 -2.2342 1.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3169 -1.3634 0.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8399 -0.0714 1.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8972 -0.2897 2.9661 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9296 1.9536 2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2592 1.4796 2.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4531 0.8119 -0.3442 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5912 2.5852 0.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1422 2.0442 -1.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8348 0.6557 -0.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6657 2.3879 1.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9666 3.6465 -0.0273 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3676 3.2481 -0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3103 3.0733 -2.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8060 2.1193 -2.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7582 3.9063 -2.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7117 0.5034 -1.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8449 0.7311 0.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2476 1.1370 -0.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 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 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 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 39 41 1 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 0 3 48 1 0 4 49 1 0 4 50 1 0 5 51 1 0 5 52 1 0 6 53 1 0 7 54 1 0 8 55 1 0 8 56 1 0 9 57 1 0 10 58 1 0 11 59 1 0 11 60 1 0 12 61 1 0 13 62 1 0 14 63 1 0 15 64 1 0 16 65 1 1 17 66 1 0 18 67 1 0 18 68 1 0 19 69 1 0 19 70 1 0 20 71 1 0 20 72 1 0 24 73 1 0 24 74 1 0 25 75 1 6 26 76 1 0 27 77 1 0 27 78 1 0 31 79 1 0 31 80 1 0 32 81 1 0 32 82 1 0 33 83 1 0 33 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 40 96 1 0 40 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 41101 1 0 M END