HMDB0046152 RDKit 3D TG(20:0/20:4(8Z,11Z,14Z,17Z)/O-18:0) 178177 0 0 0 0 0 0 0 0999 V2000 1.0217 -1.3951 7.5103 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2752 -1.4520 6.7082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9544 -2.7303 6.8525 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2244 -3.5590 5.8759 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8812 -3.3315 4.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1349 -3.3741 3.6717 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5855 -2.3690 2.9705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8749 -1.0479 2.8688 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7825 -0.0090 3.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2288 0.9935 2.7137 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0042 1.3849 1.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2247 0.6619 0.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0953 1.1340 -0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4825 2.4276 0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9304 2.3614 0.6684 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0448 1.5505 1.9251 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4307 1.5554 2.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4844 1.0701 1.5257 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8653 1.1022 2.1633 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8908 0.7046 1.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0394 1.2706 1.3441 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7876 -0.2035 0.1716 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9342 -0.4170 -0.6681 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5041 -0.0209 -2.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9972 1.2702 -2.0349 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4852 1.5989 -3.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7847 2.9602 -3.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7671 4.0095 -2.8498 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0745 5.3617 -2.6825 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0956 5.3312 -1.5354 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3872 6.6138 -1.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5087 7.0784 -2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4011 6.1201 -2.7945 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4747 5.8307 -1.6745 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3035 6.9414 -1.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2449 7.5812 -2.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0593 8.7088 -1.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9042 8.2734 -0.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 9.4586 0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5702 9.1170 1.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7418 8.6410 2.5405 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7623 9.7245 2.9735 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9279 9.2839 4.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3077 -1.8910 -0.6991 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2868 -2.6378 -1.2977 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3358 -4.0016 -1.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2642 -4.6952 -0.9931 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1737 -4.6545 -2.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9302 -4.5411 -1.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0496 -5.2919 0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9189 -5.2249 1.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5344 -4.0012 1.6753 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0921 -2.7519 1.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8813 -2.5704 0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8297 -3.3182 -0.9594 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4677 -3.0107 -1.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4159 -3.8277 -3.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4077 -5.3066 -2.7854 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6507 -5.7630 -2.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -5.3762 -2.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1476 -5.8249 -2.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3002 -5.3548 -3.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6085 -5.7632 -2.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8255 -5.3373 -3.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0187 -5.7609 -4.6706 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0137 -5.2689 -5.6637 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7215 -2.1515 7.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4748 -0.4006 7.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8539 -1.5043 8.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -1.2110 5.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9227 -0.6271 7.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2679 -3.0180 7.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7529 -4.5012 6.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2624 -4.2803 4.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2032 -2.5261 4.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7080 -4.3354 3.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5353 -2.4820 2.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9862 -1.0469 3.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 -0.9250 1.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1029 -0.1223 4.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9146 1.6832 3.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7549 2.5054 1.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0822 1.4475 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5190 -0.3337 -0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5571 0.4968 -0.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3696 2.9938 -0.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1211 3.0812 0.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6329 1.9332 -0.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2732 3.4014 0.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3812 2.0331 2.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7223 0.5121 1.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6426 2.5920 2.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5074 0.9019 3.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2976 0.0505 1.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 1.8043 0.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0699 2.0854 2.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8218 0.3588 3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7476 0.1836 -0.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8200 -0.7509 -2.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4315 0.0044 -2.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2684 1.6418 -4.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7174 0.8821 -3.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4624 3.1648 -4.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9116 2.8871 -2.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2623 3.7882 -1.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5699 4.1450 -3.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8800 6.0748 -2.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6243 5.6894 -3.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4433 4.4384 -1.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7544 5.1971 -0.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7439 6.5579 -0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1441 7.3879 -1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1592 7.1367 -3.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1090 8.0951 -2.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7866 6.5845 -3.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8204 5.1983 -3.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0395 5.2920 -0.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3066 5.0640 -1.9873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2915 7.7541 -0.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9325 6.5343 -0.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 7.9715 -2.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9553 6.8391 -2.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7629 9.0871 -2.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 9.4769 -1.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3332 7.7955 0.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6691 7.5123 -0.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4299 9.8038 -0.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0967 10.3437 0.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3562 8.4140 1.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0284 10.0830 1.6921 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1595 7.7308 2.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4532 8.4113 3.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3440 10.6279 3.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1188 10.0496 2.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8869 9.7122 4.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3137 9.6531 5.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8613 8.1793 4.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5933 -2.2323 0.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2183 -2.0014 -1.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9350 -4.1816 -3.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3631 -5.7168 -2.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -4.9032 -1.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8029 -3.4472 -1.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9727 -4.9607 0.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -6.3887 -0.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2032 -5.9704 1.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0679 -5.7971 0.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4636 -3.7229 2.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8172 -4.2644 2.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0045 -2.0299 2.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9780 -2.2151 0.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8408 -1.4639 0.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 -2.6688 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6236 -2.9438 -1.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9051 -4.3969 -0.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3665 -3.2934 -1.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3951 -1.9592 -2.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2264 -3.5308 -3.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5481 -3.5522 -3.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4598 -5.7685 -3.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4628 -5.7388 -2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -6.8643 -1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6473 -5.3194 -1.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7484 -5.8543 -3.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8836 -4.2555 -2.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2759 -5.3781 -1.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1276 -6.9154 -2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2025 -4.2587 -3.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1051 -5.7715 -4.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6147 -6.8917 -2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7205 -5.3886 -1.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7106 -5.6366 -2.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8729 -4.1934 -3.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1284 -6.8800 -4.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0285 -5.3658 -4.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3378 -6.0765 -6.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4641 -4.3753 -5.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5503 -4.9202 -6.6046 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 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 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 23 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 48 49 1 0 49 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 1 0 56 57 1 0 57 58 1 0 58 59 1 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 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 15 89 1 0 16 90 1 0 16 91 1 0 17 92 1 0 17 93 1 0 18 94 1 0 18 95 1 0 19 96 1 0 19 97 1 0 23 98 1 1 24 99 1 0 24100 1 0 26101 1 0 26102 1 0 27103 1 0 27104 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 43137 1 0 44138 1 0 44139 1 0 48140 1 0 48141 1 0 49142 1 0 49143 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 55155 1 0 56156 1 0 56157 1 0 57158 1 0 57159 1 0 58160 1 0 58161 1 0 59162 1 0 59163 1 0 60164 1 0 60165 1 0 61166 1 0 61167 1 0 62168 1 0 62169 1 0 63170 1 0 63171 1 0 64172 1 0 64173 1 0 65174 1 0 65175 1 0 66176 1 0 66177 1 0 66178 1 0 M END