HMDB0295973 RDKit 3D DG(18:0/0:0/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)) 121120 0 0 0 0 0 0 0 0999 V2000 -11.7879 -1.9012 3.6699 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6974 -1.1128 2.7063 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7183 0.2708 3.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3215 1.2649 2.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8041 1.0964 1.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6337 1.8438 0.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2746 1.3253 -0.9372 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2664 -0.1235 -1.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7173 -0.2636 -2.6081 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6298 -0.9449 -2.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7578 -1.6763 -2.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3678 -1.3729 -1.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6762 -0.4009 -2.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1274 0.6336 -3.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2879 1.5582 -3.6006 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8920 1.5707 -3.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1191 2.2289 -4.2684 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5396 2.2790 -1.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0828 2.1638 -1.7628 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4900 1.6061 -0.7248 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2548 1.0258 0.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0848 -0.4310 0.6204 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6751 -0.7944 0.9211 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4336 -2.0432 1.0865 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7269 0.1889 1.0043 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3554 -0.1696 1.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8002 -0.8383 0.0682 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5560 -1.9644 -0.3674 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6423 -1.2234 0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5277 -0.2980 0.5109 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 0.2035 1.7384 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1736 -0.2366 2.7351 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8656 1.2556 1.9066 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6924 1.3092 0.6515 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3791 -0.0016 0.4288 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1940 -0.0288 -0.8219 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3003 0.9597 -0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2829 0.6623 0.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4293 1.6461 0.2771 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4445 1.3532 1.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0232 -0.0404 1.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6883 -0.2519 -0.1164 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8348 0.6486 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9231 0.4825 0.5942 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4250 -0.9404 0.5606 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5540 -1.1468 1.5594 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0442 -2.5562 1.5311 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5576 -2.8924 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6882 -1.9549 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8053 -1.4761 4.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0401 -2.9624 3.6986 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7283 -1.8199 3.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3329 -1.3449 1.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7139 -1.5409 2.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0925 0.5126 4.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3532 2.3123 2.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4888 0.1101 0.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8234 1.6952 1.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6938 2.9366 0.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8594 1.9859 -1.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3325 -0.5217 -1.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7312 -0.7531 -0.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2446 0.2317 -3.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3998 -0.9831 -4.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1962 -1.8098 -0.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7644 -2.8133 -2.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7784 -2.0858 -1.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5992 -0.3620 -2.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1568 0.7308 -3.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6901 2.3269 -4.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4480 0.5632 -3.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2436 3.2004 -4.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8055 3.3753 -2.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0866 1.9160 -1.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3934 2.5736 -2.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3722 1.5726 -0.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7803 1.5471 1.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2993 1.3718 0.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3553 -1.0436 -0.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7624 -0.7155 1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8286 0.8005 1.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4147 -0.7884 2.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9759 -0.1063 -0.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1279 -2.2554 -1.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7342 -2.2151 0.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8850 -1.4460 -1.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4062 2.2417 2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 0.9349 2.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4048 2.1633 0.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9742 1.4417 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0010 -0.1859 1.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6674 -0.8221 0.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4881 0.1517 -1.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5450 -1.0752 -0.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8363 0.8794 -1.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8886 1.9728 -0.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7974 0.7468 1.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6842 -0.3669 0.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0644 2.6896 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8688 1.6339 -0.7381 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9127 1.3728 2.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2441 2.0967 1.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2707 -0.8073 1.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7629 -0.1431 2.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9394 -1.3414 -0.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8965 -0.1148 -0.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4458 1.6866 -0.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2180 0.3972 -1.4161 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7849 1.1180 0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5973 0.7901 1.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6442 -1.6940 0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7474 -1.1328 -0.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1577 -0.8890 2.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3434 -0.4113 1.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8096 -2.7236 2.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1940 -3.2330 1.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7449 -2.8902 -0.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9235 -3.9527 0.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2694 -1.6927 0.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3003 -1.0467 -0.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3360 -2.4815 -0.9169 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 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 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 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 2 0 31 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 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 11 66 1 0 12 67 1 0 13 68 1 0 14 69 1 0 15 70 1 0 16 71 1 0 17 72 1 0 18 73 1 0 18 74 1 0 19 75 1 0 20 76 1 0 21 77 1 0 21 78 1 0 22 79 1 0 22 80 1 0 26 81 1 0 26 82 1 0 27 83 1 6 28 84 1 0 29 85 1 0 29 86 1 0 33 87 1 0 33 88 1 0 34 89 1 0 34 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 49121 1 0 M END