HMDB0055890 RDKit 3D TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/O-18:0) 176175 0 0 0 0 0 0 0 0999 V2000 -2.5285 -4.8474 -5.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3252 -5.4525 -5.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8268 -6.6772 -4.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8263 -6.9181 -3.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3408 -6.0433 -2.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2545 -6.7378 -1.3136 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3047 -7.1156 -0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 -6.8509 0.7648 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4354 -5.9817 1.9521 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3928 -5.3929 2.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9838 -5.2571 1.8928 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7976 -5.8799 2.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6531 -5.2397 3.6866 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9504 -3.8104 3.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4640 -3.7436 3.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1281 -2.9888 4.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5265 -2.1877 5.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9446 -0.7878 5.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1583 0.1860 4.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7175 0.1116 4.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9135 0.9152 5.6723 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5111 0.9092 5.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0071 2.0748 4.9917 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4025 -0.1131 5.2938 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7249 0.1149 4.9381 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6996 -0.0319 6.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9230 0.3130 5.5846 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0101 0.2580 6.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2734 0.7470 5.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0847 2.2252 5.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2924 2.7368 4.6133 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7243 2.0999 3.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9411 2.1942 2.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5256 1.7749 2.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0799 1.9281 0.6115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6113 1.6087 0.4406 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7661 2.5880 1.2552 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9897 3.9982 0.7913 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2276 4.9517 1.6651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7549 4.7629 1.7071 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1034 5.7942 2.6357 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3517 7.1949 2.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3071 8.2386 3.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1861 8.1759 4.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 9.2559 5.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3191 -0.7995 3.9243 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8228 -0.8253 2.7014 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6600 -1.0376 2.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3376 -1.2708 2.9263 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3776 -1.0456 0.6748 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 -0.5215 0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1508 -0.7198 -1.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3382 -0.1075 -1.8327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3954 -0.5683 -3.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7003 -1.9913 -3.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7813 -2.4736 -4.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6796 -1.5759 -4.7773 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8431 -2.0629 -6.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4269 -1.4443 -7.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7160 -0.1817 -7.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3577 0.9916 -7.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9532 1.7516 -8.6277 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7926 1.6980 -9.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8615 0.5830 -9.4394 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5973 0.6231 -9.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2251 1.8045 -8.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 1.4598 -7.4115 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5691 2.2175 -6.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1999 3.4498 -6.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3922 3.3393 -5.3631 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4170 -5.0866 -5.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5990 -5.2390 -6.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4369 -3.7310 -5.7553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 -4.6916 -4.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5588 -5.6893 -5.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2399 -7.4598 -5.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2295 -7.8901 -2.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2214 -5.7500 -1.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9652 -5.0825 -2.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6556 -6.9589 -1.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5709 -7.6762 0.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7779 -7.8912 1.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3891 -6.5938 0.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4137 -5.8739 2.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -4.7589 3.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2179 -5.6604 0.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1759 -4.1359 1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6314 -6.9597 3.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2284 -5.7335 4.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5124 -3.2475 4.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5467 -3.4941 2.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9812 -4.3026 2.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 -2.9926 4.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4819 -2.3944 5.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0866 -2.5643 6.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0075 -0.5863 5.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5573 1.2430 4.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4660 0.5404 3.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3252 -0.9234 4.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2949 1.9789 5.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0821 0.5257 6.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8607 1.1906 4.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6652 -1.0860 6.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3792 0.6878 6.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1469 -0.8199 6.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8357 0.8715 7.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5182 0.1646 4.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0895 0.7348 6.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1393 2.3646 4.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0174 2.8198 6.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0961 3.8486 4.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1416 2.8212 5.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9531 0.9995 3.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7864 2.5412 3.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4894 1.6494 1.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0254 3.2746 1.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9265 2.5017 2.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3260 0.7706 2.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6526 1.1449 0.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3881 2.8974 0.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3923 1.6527 -0.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4592 0.6026 0.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0233 2.4927 2.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6702 2.3464 1.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0321 4.2954 0.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5142 4.0717 -0.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4923 5.9972 1.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6027 4.9136 2.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3414 4.9631 0.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5053 3.7645 2.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6677 5.6583 3.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9333 5.5248 2.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0777 7.3172 1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4614 7.3951 2.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0024 9.2296 2.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3989 8.1953 2.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1068 7.1958 4.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2773 8.3549 4.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2925 8.8101 5.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8746 10.0855 4.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2915 9.6765 6.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4619 -0.6299 3.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3301 -1.8820 4.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1142 -0.4050 0.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5092 -2.0758 0.2866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0954 0.5332 0.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 -1.0874 0.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1043 -1.8148 -1.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2307 -0.3276 -1.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2442 1.0201 -1.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3029 -0.3289 -1.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0907 0.1323 -3.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 -0.3902 -3.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0407 -2.6872 -2.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9295 -3.5359 -3.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5819 -0.5162 -4.6297 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 -1.7836 -4.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3262 -3.0240 -6.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5911 -1.8840 -8.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3869 0.0131 -6.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7155 -0.3492 -7.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3461 1.2929 -7.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6473 2.6278 -8.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0947 1.7977 -10.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2333 2.6890 -9.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2519 -0.4295 -9.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0236 -0.3261 -9.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0644 1.9235 -9.4957 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3513 2.7131 -8.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3727 0.5403 -7.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0077 1.8860 -5.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4737 3.9095 -7.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4918 4.2199 -5.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 2.7269 -4.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6857 4.3425 -5.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2664 2.8606 -5.8888 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 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 1 0 29 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 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 25 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 2 0 59 60 1 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 1 0 64 65 2 0 65 66 1 0 66 67 1 0 67 68 2 0 68 69 1 0 69 70 1 0 1 71 1 0 1 72 1 0 1 73 1 0 2 74 1 0 2 75 1 0 3 76 1 0 4 77 1 0 5 78 1 0 5 79 1 0 6 80 1 0 7 81 1 0 8 82 1 0 8 83 1 0 9 84 1 0 10 85 1 0 11 86 1 0 11 87 1 0 12 88 1 0 13 89 1 0 14 90 1 0 14 91 1 0 15 92 1 0 16 93 1 0 17 94 1 0 17 95 1 0 18 96 1 0 19 97 1 0 20 98 1 0 20 99 1 0 21100 1 0 21101 1 0 25102 1 6 26103 1 0 26104 1 0 28105 1 0 28106 1 0 29107 1 0 29108 1 0 30109 1 0 30110 1 0 31111 1 0 31112 1 0 32113 1 0 32114 1 0 33115 1 0 33116 1 0 34117 1 0 34118 1 0 35119 1 0 35120 1 0 36121 1 0 36122 1 0 37123 1 0 37124 1 0 38125 1 0 38126 1 0 39127 1 0 39128 1 0 40129 1 0 40130 1 0 41131 1 0 41132 1 0 42133 1 0 42134 1 0 43135 1 0 43136 1 0 44137 1 0 44138 1 0 45139 1 0 45140 1 0 45141 1 0 46142 1 0 46143 1 0 50144 1 0 50145 1 0 51146 1 0 51147 1 0 52148 1 0 52149 1 0 53150 1 0 53151 1 0 54152 1 0 54153 1 0 55154 1 0 56155 1 0 57156 1 0 57157 1 0 58158 1 0 59159 1 0 60160 1 0 60161 1 0 61162 1 0 62163 1 0 63164 1 0 63165 1 0 64166 1 0 65167 1 0 66168 1 0 66169 1 0 67170 1 0 68171 1 0 69172 1 0 69173 1 0 70174 1 0 70175 1 0 70176 1 0 M END