HMDB0055116 RDKit 3D TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/O-18:0) 174173 0 0 0 0 0 0 0 0999 V2000 -1.6275 5.3843 1.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3299 3.9312 1.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5513 3.8715 3.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6148 3.5162 3.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7823 3.1266 3.6121 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7036 4.0739 4.2495 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6024 3.6979 5.1136 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8692 2.3323 5.5985 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2796 1.9981 5.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7056 1.0269 4.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8609 0.0403 3.9784 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0969 -1.2692 4.6971 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6628 -2.2865 4.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1852 -2.4521 2.8315 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5841 -3.6111 2.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6560 -4.8642 2.8389 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2640 -6.1511 2.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2407 -7.2998 3.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1066 -7.4094 4.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7104 -6.2177 4.9089 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2701 -5.8519 5.9551 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6630 -5.5027 4.4509 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9745 -4.3667 4.8192 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4719 -4.7087 5.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1187 -3.5227 5.5864 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4186 -3.9380 5.8728 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3452 -2.9048 6.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5900 -1.7300 5.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1363 -2.1115 4.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4251 -0.8411 3.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9547 -1.0591 1.9844 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1982 -1.8855 1.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7573 -2.0728 0.5692 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7571 -2.7048 -0.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5176 -2.8484 -1.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7155 -3.4228 -2.8245 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5619 -2.5041 -3.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0937 -1.1432 -3.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9236 -0.2175 -3.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5464 1.0942 -4.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 2.1307 -4.8095 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6175 2.4914 -3.6613 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3769 3.0445 -2.4805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9324 -3.5462 3.5811 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2467 -2.3143 3.5403 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2717 -1.7181 2.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9111 -2.3615 1.3673 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3481 -0.4660 1.8786 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2364 -0.3327 0.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 0.8704 -0.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1962 1.7918 -0.8288 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2739 1.6422 -1.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9183 2.8963 -0.6755 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6443 3.6362 -1.4757 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9977 3.4657 -2.8507 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5514 2.3720 -3.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4521 1.4401 -4.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8603 1.4536 -3.7925 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9162 1.5110 -4.7812 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9590 1.5406 -6.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7964 1.5215 -6.9622 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7558 2.6729 -7.8941 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7517 3.5018 -7.9725 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4952 3.5176 -7.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2711 4.8299 -6.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2153 5.9784 -7.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9562 7.2912 -6.7839 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8995 8.4376 -7.7689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7966 6.0634 1.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6738 5.4220 0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6160 5.6942 1.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3219 3.7403 1.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0969 3.3282 1.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5481 4.1375 3.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8683 3.5018 5.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9179 2.1113 4.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9353 3.0154 2.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6411 5.1554 3.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2551 4.5100 5.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1605 1.5811 5.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7921 2.4375 6.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0177 2.6894 5.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7959 0.8690 4.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2717 -0.0108 2.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7905 0.2179 4.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7455 -1.3036 5.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7577 -3.1751 4.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1462 -1.5972 2.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2963 -2.7124 2.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2876 -3.7409 1.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6174 -3.3608 1.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7681 -5.0067 3.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1710 -4.7632 3.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2430 -6.1052 1.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9632 -6.4607 1.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3191 -8.2840 2.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1907 -7.2837 3.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2096 -7.7722 3.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2639 -8.2349 4.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3888 -3.8690 5.6895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5131 -5.3900 6.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 -5.0565 4.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8056 -4.4630 4.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2877 -4.7478 6.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9119 -2.5111 7.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2991 -3.4288 6.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5917 -1.2168 5.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2855 -1.0332 6.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3896 -2.7583 3.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0981 -2.6526 4.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1171 -0.2386 4.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4872 -0.2531 3.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1766 -0.0551 1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1685 -1.5184 1.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9903 -1.3808 2.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0679 -2.8787 2.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6230 -2.7887 0.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0620 -1.1185 0.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4231 -3.7049 -0.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8642 -2.0709 -0.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3694 -3.5816 -1.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9670 -1.8975 -2.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3447 -3.6169 -3.7219 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2678 -4.4061 -2.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9613 -2.3495 -2.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9247 -2.9375 -3.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7557 -1.2150 -4.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6276 -0.6198 -2.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3237 -0.6772 -4.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2697 -0.0965 -3.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2870 1.4243 -3.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1246 0.8343 -5.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0806 3.0381 -5.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9185 1.7498 -5.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9672 1.6227 -3.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9327 3.2840 -4.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1287 2.4212 -1.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0843 4.1174 -2.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4806 3.0860 -2.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9926 -3.4018 3.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -4.1680 2.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0184 0.4423 2.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4407 -0.4907 2.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7438 -0.6191 -0.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 -1.2603 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 1.0599 0.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7325 2.6590 -1.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3658 1.4137 -2.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6956 0.8008 -0.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7844 3.2306 0.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0555 4.5722 -0.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0872 3.7260 -3.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5220 4.4097 -3.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 2.3027 -4.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9452 0.6421 -4.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1099 2.1434 -2.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0198 0.4134 -3.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9777 1.5321 -4.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9916 1.5897 -6.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8720 1.5119 -6.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8992 0.6121 -7.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6180 2.8429 -8.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8304 4.3405 -8.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4276 2.6785 -6.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6015 3.4026 -7.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2676 4.7940 -6.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0597 5.0854 -5.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2444 6.1043 -7.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5122 5.7811 -8.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9747 7.2816 -6.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7706 7.5213 -6.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 8.0839 -8.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1471 9.1550 -7.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8597 8.9996 -7.8296 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 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 62 63 2 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 15 91 1 0 16 92 1 0 16 93 1 0 17 94 1 0 17 95 1 0 18 96 1 0 18 97 1 0 19 98 1 0 19 99 1 0 23100 1 1 24101 1 0 24102 1 0 26103 1 0 26104 1 0 27105 1 0 27106 1 0 28107 1 0 28108 1 0 29109 1 0 29110 1 0 30111 1 0 30112 1 0 31113 1 0 31114 1 0 32115 1 0 32116 1 0 33117 1 0 33118 1 0 34119 1 0 34120 1 0 35121 1 0 35122 1 0 36123 1 0 36124 1 0 37125 1 0 37126 1 0 38127 1 0 38128 1 0 39129 1 0 39130 1 0 40131 1 0 40132 1 0 41133 1 0 41134 1 0 42135 1 0 42136 1 0 43137 1 0 43138 1 0 43139 1 0 44140 1 0 44141 1 0 48142 1 0 48143 1 0 49144 1 0 49145 1 0 50146 1 0 51147 1 0 52148 1 0 52149 1 0 53150 1 0 54151 1 0 55152 1 0 55153 1 0 56154 1 0 57155 1 0 58156 1 0 58157 1 0 59158 1 0 60159 1 0 61160 1 0 61161 1 0 62162 1 0 63163 1 0 64164 1 0 64165 1 0 65166 1 0 65167 1 0 66168 1 0 66169 1 0 67170 1 0 67171 1 0 68172 1 0 68173 1 0 68174 1 0 M END