HMDB0042658 RDKit 3D TG(14:0/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 161160 0 0 0 0 0 0 0 0999 V2000 -4.0751 0.6625 6.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0646 1.1805 5.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7824 1.2992 3.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9244 2.4251 3.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3869 3.7197 3.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5677 4.6229 3.8663 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6197 5.7286 3.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6338 6.2518 2.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2851 6.4072 0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9049 5.8038 -0.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7354 4.8578 -0.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2910 3.5708 -0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9307 2.9639 -1.8288 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9158 3.4909 -2.7576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7892 2.5381 -2.9188 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4557 2.8667 -2.6211 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9804 4.1086 -2.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6905 4.1309 -0.7873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8923 3.7134 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3663 2.3755 0.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1655 1.2067 0.8962 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2203 0.6757 0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7022 1.2286 -0.9142 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7944 -0.5975 0.3592 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8527 -1.1217 -0.4587 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1163 -0.3468 -0.3620 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2417 -0.8142 -1.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0961 -0.9281 -2.5703 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3881 -1.7393 -3.3976 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 -2.6325 -2.9114 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4576 -1.5591 -4.8831 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6244 -0.4327 -5.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1604 -0.5056 -5.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4670 -1.6471 -5.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -1.4849 -5.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1187 -2.4680 -6.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2171 -3.9068 -6.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0984 -4.5129 -4.7137 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7049 -4.1706 -3.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1466 -4.9549 -2.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9021 -4.6973 -1.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3548 -5.1193 -1.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0994 -4.8826 0.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5868 -0.3269 1.0111 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6182 0.8339 1.7646 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1855 1.8726 1.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0986 0.9089 3.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3117 0.1873 4.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8591 0.6165 4.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2356 -0.1606 5.3521 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2379 -0.9760 5.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6067 -1.2381 3.8042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7017 -2.6940 3.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -3.4064 3.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7357 -2.8444 3.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4542 -3.6004 4.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5212 -4.2990 4.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1730 -4.4684 2.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5733 -3.9288 2.9575 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0308 -2.9381 2.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2608 -2.2192 1.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8616 -2.3222 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2519 -1.7741 -0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3511 -0.3079 0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7777 0.1766 -0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5513 0.3890 7.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7756 1.4795 6.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5724 -0.2239 5.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3027 0.3259 5.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5193 2.0354 5.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2207 0.3741 3.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4889 2.3905 2.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9569 3.6521 4.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6637 4.0429 2.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3695 4.3405 4.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5213 6.3513 3.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4773 7.3480 2.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6378 5.8460 2.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1576 7.0853 0.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4801 6.0049 -1.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0237 5.3384 -0.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2903 4.7156 0.7452 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0465 3.1173 -0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4023 2.0196 -2.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5376 4.4785 -2.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4386 3.4539 -3.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9873 1.5109 -3.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1949 2.0520 -2.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2335 4.9510 -2.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7817 4.4375 -2.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8988 5.2608 -0.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7225 3.7537 -0.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0329 4.4899 0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4814 4.0767 1.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3753 2.4938 1.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3917 2.0692 -0.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4231 0.3292 1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6149 1.2733 1.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9183 -2.1983 -0.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4331 -0.9151 -1.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8899 0.7093 -0.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5572 -1.8594 -0.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1850 -0.2155 -0.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5038 -1.3744 -5.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1398 -2.4955 -5.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -0.3645 -6.4761 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0452 0.5397 -4.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9856 -0.6700 -4.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6903 0.4551 -5.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8473 -2.5884 -5.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5781 -1.5558 -6.9521 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7649 -1.2707 -4.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7409 -0.4781 -6.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1476 -2.2405 -7.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9578 -2.1412 -5.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4498 -4.4001 -6.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 -4.3024 -6.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2217 -4.4423 -4.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -5.6520 -4.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7493 -4.4392 -3.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6508 -3.1181 -3.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9074 -4.6423 -2.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1821 -6.0291 -2.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4138 -5.2319 -0.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9019 -3.5957 -0.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3652 -6.2012 -1.4474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8637 -4.5344 -1.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1396 -4.6297 -0.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6657 -4.0779 0.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0954 -5.7944 0.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1840 0.5993 3.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1248 1.9891 3.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7973 0.2779 5.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3061 -0.9025 3.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4291 0.5649 3.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8073 1.6956 4.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5905 -0.0833 6.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8165 -1.5263 5.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6231 -0.8081 3.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -0.7360 3.0241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7049 -3.1569 3.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6981 -4.4874 3.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2444 -3.0724 2.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8307 -1.7922 3.6099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0566 -3.5493 5.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9723 -4.8166 5.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6400 -4.1411 1.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3138 -5.6195 2.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2719 -4.3788 3.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0659 -2.6193 2.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2964 -1.1209 1.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2082 -2.4903 1.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2158 -1.6860 -0.8314 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8716 -3.3619 -0.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9977 -2.3664 0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5226 -1.8445 -1.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0674 -0.1985 1.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6725 0.2952 -0.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8886 0.6929 -1.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0323 0.8441 0.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4538 -0.6852 -0.0352 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 1 0 29 30 2 0 29 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 26 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 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 1 0 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 0 25100 1 0 26101 1 6 27102 1 0 27103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 43130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 60150 1 0 61151 1 0 61152 1 0 62153 1 0 62154 1 0 63155 1 0 63156 1 0 64157 1 0 64158 1 0 65159 1 0 65160 1 0 65161 1 0 M END