HMDB0043755 RDKit 3D TG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z)) 176175 0 0 0 0 0 0 0 0999 V2000 4.8444 -2.0529 -5.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6334 -3.5668 -5.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2848 -3.8219 -5.6215 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3073 -4.4321 -5.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4565 -4.9744 -3.6318 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2383 -6.4536 -3.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 -7.3598 -3.2909 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4495 -7.0845 -2.8087 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9603 -7.4310 -1.5304 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4654 -8.0168 -0.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0783 -8.5283 -0.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4626 -7.8336 0.7748 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3924 -7.1064 0.7773 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5804 -6.8505 -0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7783 -7.4014 -0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8379 -6.6484 -0.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9104 -5.2003 -0.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4059 -4.4996 0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6235 -3.0411 0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4021 -2.2546 0.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7060 -0.7936 0.1451 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6773 0.1018 -0.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8751 1.3431 -0.4408 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5617 -0.3265 -0.7715 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4758 0.6086 -1.2989 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0125 0.0655 -2.5685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0668 -0.3334 -3.4807 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0689 0.3814 -4.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0147 1.5908 -3.8453 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8313 -0.3018 -5.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0859 0.3286 -5.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1627 0.5661 -4.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9890 1.5116 -3.3179 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2563 1.5538 -2.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1021 2.6697 -1.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2843 2.7174 -0.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3760 1.5385 0.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2173 1.6201 1.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2275 0.5207 2.4549 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1896 0.7311 3.5485 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1932 -0.3263 4.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2042 -1.0310 5.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8041 -0.9438 4.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2165 -2.2506 4.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2808 -2.0018 3.9869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0628 -3.2083 3.6053 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8278 -3.8133 2.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1823 -3.0344 1.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6172 -2.7128 0.8581 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3070 -1.8723 1.8572 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6103 0.9000 -0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0861 1.4727 0.8531 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8552 1.7954 1.9536 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0998 1.5152 1.8238 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3158 2.4074 3.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6998 3.7366 3.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4751 4.8982 2.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0171 4.8192 1.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7865 6.0249 0.8136 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1869 7.3567 0.8357 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0485 7.7421 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7392 7.0580 0.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2838 7.7103 -0.7931 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6330 7.0709 -0.6863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2370 7.1438 0.6936 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6119 6.5176 0.7474 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5870 7.2251 -0.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9464 6.5401 -0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3754 -1.7567 -6.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8954 -1.5030 -5.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4791 -1.7488 -4.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8017 -3.8912 -4.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4254 -3.9743 -5.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0842 -3.4517 -6.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3516 -4.5437 -5.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5312 -4.5778 -3.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2932 -4.6266 -3.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2497 -6.8178 -4.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8122 -8.4144 -3.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -7.4665 -3.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6330 -5.9591 -2.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0601 -7.1099 -1.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1194 -8.1780 0.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4697 -8.3698 -1.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0934 -9.6155 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9856 -7.9546 1.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0465 -6.6543 1.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9614 -7.4761 -1.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6011 -5.7891 -0.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8469 -8.4657 0.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7864 -7.1768 0.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7089 -5.1103 -1.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9778 -4.8341 -0.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3827 -4.9928 1.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7323 -4.7309 1.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 -2.8190 0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8582 -2.6459 1.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1578 -2.6024 -0.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5938 -2.5465 0.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6922 -0.6779 -0.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8965 -0.4708 1.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9779 1.5688 -1.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7203 0.8346 -3.0392 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7335 -0.7940 -2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 -1.3911 -4.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1687 -0.4952 -5.9711 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8829 1.2963 -6.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5328 -0.3100 -6.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0853 0.9581 -5.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5484 -0.4360 -4.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1645 1.0910 -2.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7429 2.5272 -3.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0752 1.8596 -3.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4989 0.5844 -2.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1339 2.7126 -0.9497 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1731 3.6169 -2.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2051 2.8345 -1.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1844 3.6420 0.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4227 0.5729 -0.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3007 1.6876 1.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2533 1.6267 0.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2830 2.5822 2.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0928 -0.4792 2.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2199 0.4881 2.9705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1667 0.8753 3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4399 1.6976 4.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2033 -0.5558 4.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4622 -1.8109 5.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2362 -0.6283 5.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -0.1233 3.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3141 -3.0034 4.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6928 -2.6245 3.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6246 -1.6722 4.9914 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4264 -1.1842 3.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1495 -3.0248 3.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8684 -4.0453 4.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -4.1646 2.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4018 -4.7923 2.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8279 -3.6029 0.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6488 -2.0360 1.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1428 -3.6958 0.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6864 -2.2219 -0.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9944 -1.1732 1.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0193 -2.4179 2.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6202 -1.1953 2.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3222 0.1023 -0.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1710 1.7456 -0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2094 2.5251 3.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6358 1.7062 3.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2236 4.0200 4.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7857 3.6104 2.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3493 5.1408 3.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8213 5.8315 2.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7672 3.9363 1.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2628 4.5378 0.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8084 6.0478 1.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1072 5.8242 -0.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9634 7.6089 1.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0144 8.1258 0.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3830 7.6230 -1.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8738 8.8689 0.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3289 7.1564 1.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7863 5.9879 -0.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3148 8.7969 -0.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 7.5133 -1.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3294 7.4260 -1.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4902 5.9839 -0.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5835 6.5731 1.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2835 8.2045 0.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0096 6.4387 1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5496 5.4665 0.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3065 7.1199 -1.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6411 8.2997 0.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0024 5.9676 0.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1746 5.9118 -0.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7043 7.3555 -0.0265 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 1 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 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 2 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 49 50 1 0 25 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 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 66 67 1 0 67 68 1 0 1 69 1 0 1 70 1 0 1 71 1 0 2 72 1 0 2 73 1 0 3 74 1 0 4 75 1 0 5 76 1 0 5 77 1 0 6 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 10 83 1 0 11 84 1 0 11 85 1 0 12 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 15 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 20 98 1 0 20 99 1 0 21100 1 0 21101 1 0 25102 1 6 26103 1 0 26104 1 0 30105 1 0 30106 1 0 31107 1 0 31108 1 0 32109 1 0 32110 1 0 33111 1 0 33112 1 0 34113 1 0 34114 1 0 35115 1 0 35116 1 0 36117 1 0 36118 1 0 37119 1 0 37120 1 0 38121 1 0 38122 1 0 39123 1 0 39124 1 0 40125 1 0 40126 1 0 41127 1 0 42128 1 0 43129 1 0 43130 1 0 44131 1 0 44132 1 0 45133 1 0 45134 1 0 46135 1 0 46136 1 0 47137 1 0 47138 1 0 48139 1 0 48140 1 0 49141 1 0 49142 1 0 50143 1 0 50144 1 0 50145 1 0 51146 1 0 51147 1 0 55148 1 0 55149 1 0 56150 1 0 56151 1 0 57152 1 0 57153 1 0 58154 1 0 58155 1 0 59156 1 0 59157 1 0 60158 1 0 60159 1 0 61160 1 0 61161 1 0 62162 1 0 62163 1 0 63164 1 0 63165 1 0 64166 1 0 64167 1 0 65168 1 0 65169 1 0 66170 1 0 66171 1 0 67172 1 0 67173 1 0 68174 1 0 68175 1 0 68176 1 0 M END