HMDB0050146 RDKit 3D TG(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)) 169168 0 0 0 0 0 0 0 0999 V2000 -6.6045 2.4690 -4.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6746 1.7791 -3.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8336 0.3005 -3.4113 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9136 -0.4400 -2.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0782 -1.9398 -2.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1671 -2.7150 -1.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3137 -3.6437 -0.8097 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1564 -4.0247 -1.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2835 -5.4430 -2.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4357 -6.3839 -1.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2132 -6.0879 -0.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2994 -7.0315 0.2288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3752 -7.9336 0.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1908 -8.1320 -0.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1537 -7.9269 0.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5822 -7.5200 1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2445 -7.1367 2.4968 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0872 -5.7142 2.7971 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5763 -5.3556 3.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8477 -6.2834 5.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3435 -6.2622 5.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6988 -4.8881 5.7985 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7567 -4.6053 7.0242 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9784 -3.8533 4.9061 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3099 -2.5501 5.3398 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1063 -1.6911 4.8033 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2856 -0.3410 5.0931 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3221 0.5339 4.5705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3915 0.0295 3.9035 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3432 1.9914 4.7524 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2777 2.6706 3.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0819 2.4873 2.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 2.9611 1.7416 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9612 2.6859 0.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0568 3.1166 -0.6259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4448 2.6720 -0.7428 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5515 1.2429 -1.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 0.3912 -0.4231 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2355 0.6573 0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9233 -0.1258 1.8629 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6855 0.3454 3.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6949 1.7722 3.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7764 2.0212 4.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5575 1.2049 5.6343 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2317 1.5125 6.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1566 0.6173 7.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4596 -2.0311 4.5014 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9591 -1.9194 3.2022 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5763 -1.3897 2.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7346 -0.9501 2.2401 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8220 -1.3694 0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3694 -0.4773 -0.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7198 -0.8039 -0.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2002 0.1603 -1.7968 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2787 1.5674 -1.2485 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7347 2.5806 -2.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8184 3.9682 -1.6216 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5248 4.3494 -1.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8171 5.4019 -1.4295 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2813 6.3252 -2.4464 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3364 6.4317 -3.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9878 6.8903 -3.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0594 6.9679 -4.4325 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5769 5.7728 -5.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5275 4.8024 -5.6767 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7966 3.7050 -6.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8322 2.9398 -5.6344 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4220 1.7237 -5.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8450 3.2659 -4.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5745 2.9680 -4.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7514 2.0343 -2.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5631 2.1678 -2.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9832 -0.0649 -4.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8163 0.1681 -3.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0359 -0.2230 -1.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8147 -0.1078 -1.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4481 -2.2969 -3.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1397 -1.9939 -2.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0121 -2.4792 -0.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4609 -4.1674 0.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2596 -3.7337 -1.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1011 -3.4684 -2.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1852 -5.6901 -2.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6549 -7.3922 -2.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2383 -5.0849 -0.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3571 -6.2259 -1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1591 -6.9709 0.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5878 -8.6053 1.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2365 -9.2480 -0.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2966 -7.6097 -1.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9951 -8.1665 -0.5454 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7038 -7.4259 1.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3162 -7.2704 2.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0687 -7.8374 3.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0898 -4.9779 2.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8153 -4.2842 4.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4468 -7.2699 5.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3829 -5.7966 5.9645 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 -6.9412 6.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9099 -6.6635 4.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3925 -2.4101 6.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0691 -1.8092 3.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2052 -2.1334 5.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6225 2.2046 5.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 2.4081 4.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3461 3.7806 4.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3168 2.3129 4.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3108 1.4449 2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8755 3.1004 1.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7026 4.0636 1.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1161 2.5090 2.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9528 3.2086 0.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 1.6004 0.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1241 4.2853 -0.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3511 3.0431 -1.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1203 3.0171 0.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8773 3.1936 -1.6596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9143 0.8749 -1.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2519 -0.6596 -0.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3695 1.7111 0.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2814 0.2841 0.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 -1.2428 1.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4428 -0.3742 3.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7449 2.1037 3.8625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8785 2.4493 2.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7365 1.7117 3.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7724 3.1161 4.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3397 1.4047 6.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5863 0.1169 5.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4247 1.1909 5.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1129 2.5710 6.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0764 0.8073 8.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2216 0.8394 8.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 -0.4291 7.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8931 -1.1197 4.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2001 -2.8832 4.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6835 -2.4144 0.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7576 -1.0110 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6462 -0.5686 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2365 0.5791 0.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6645 -1.8226 -1.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4450 -0.8411 0.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1633 -0.1902 -2.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4700 0.0758 -2.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2551 1.8023 -0.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9369 1.5445 -0.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7316 2.2731 -2.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0516 2.5839 -3.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5594 3.7913 -0.7676 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3315 4.6640 -2.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1329 3.6703 -0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8450 5.5356 -0.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3209 7.3745 -2.0175 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2709 6.1633 -2.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4819 5.5771 -4.2448 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7971 7.3087 -4.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4775 6.2442 -2.5115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0674 7.8953 -2.7745 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1336 7.5651 -4.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4665 7.7280 -5.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9144 6.1338 -5.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8393 5.2645 -4.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2490 5.2589 -6.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9829 4.2458 -4.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3887 4.1755 -7.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5954 3.0110 -6.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5215 2.0434 -6.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3381 2.5201 -4.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0949 3.4896 -5.4112 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 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 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 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 25 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 3 74 1 0 4 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 1 26102 1 0 26103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 46132 1 0 46133 1 0 46134 1 0 47135 1 0 47136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 66165 1 0 66166 1 0 67167 1 0 67168 1 0 67169 1 0 M END