HMDB0042898 RDKit 3D TG(14:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 165164 0 0 0 0 0 0 0 0999 V2000 -1.2365 -9.1521 1.9961 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9803 -7.8132 2.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2316 -7.9210 1.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4045 -7.8727 2.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7010 -7.7127 3.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5603 -6.5520 3.7478 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2673 -5.5047 4.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0563 -5.3003 5.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1526 -4.1995 5.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2356 -3.1920 4.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3465 -3.0254 3.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2228 -1.8837 3.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4716 -0.8613 2.8741 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9208 -0.6649 1.5154 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1309 -0.6076 0.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4520 0.4379 -0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6766 1.6885 -0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1716 1.9929 -1.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4063 3.3064 -1.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9072 3.5674 -2.8185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1346 4.8637 -2.9692 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9608 4.9277 -2.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6786 3.9193 -1.4225 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0561 6.0012 -2.0031 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0037 5.8183 -1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 6.9376 -0.9134 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6162 7.4288 -2.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4481 6.4040 -2.6179 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2254 6.3760 -3.7417 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2149 7.3608 -4.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0872 5.1974 -4.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8604 4.2106 -2.9545 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6715 2.9756 -2.9827 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3303 2.1065 -1.8093 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8988 1.5533 -1.8462 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6704 0.7858 -0.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4723 -0.0023 -0.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 0.5356 -0.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3652 0.9497 -1.8004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2943 -0.1865 -2.8097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8012 0.3410 -4.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7548 -0.7688 -5.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6123 -1.9151 -4.7496 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9107 6.5250 0.0869 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9714 7.0332 1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1769 7.9410 1.6874 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9765 6.4832 2.3532 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0247 5.7469 1.5784 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0027 5.0136 2.4784 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3182 3.9619 3.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1860 3.1642 4.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2408 2.1787 4.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3143 0.8912 4.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4197 0.1759 4.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0831 -0.7022 5.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1708 -1.9778 5.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6441 -2.7307 3.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6161 -3.7136 4.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3926 -3.7258 3.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8443 -2.7990 2.7811 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6547 -2.1247 3.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 -2.2907 2.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3229 -3.1029 1.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6939 -4.1964 1.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7286 -4.2795 0.8664 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0745 -3.4153 -0.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1206 -4.2937 -1.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8927 -10.0010 2.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2729 -9.1739 2.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9776 -9.1708 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3136 -6.9929 1.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1379 -7.7862 3.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2070 -8.0472 0.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2619 -7.9717 1.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2743 -8.6752 3.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7984 -7.7850 4.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5551 -6.6161 3.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1165 -4.7680 4.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4033 -6.2557 5.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3527 -5.3562 6.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2297 -4.1828 5.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4639 -2.3849 4.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8787 -3.8784 2.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7539 -2.5915 2.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6729 -1.9620 4.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1547 -0.1029 3.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3720 -1.5508 1.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2756 0.2147 1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7392 -1.5200 0.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3680 0.3671 -0.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4475 2.5199 0.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9153 1.7946 0.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0462 2.0603 -2.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4730 1.1780 -1.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1245 4.1529 -1.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6836 3.3238 -0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3088 2.7218 -3.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7803 3.6558 -3.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8597 5.6998 -2.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8573 4.9235 -4.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4341 5.4567 -0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6078 4.9468 -1.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3791 7.7596 -0.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 8.3237 -1.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8604 7.7606 -2.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1641 5.4586 -4.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8313 4.7258 -5.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 3.9892 -2.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0544 4.8067 -2.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4225 2.3572 -3.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7675 3.1740 -3.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3761 2.7263 -0.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 1.2916 -1.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8521 0.8660 -2.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1909 2.3696 -2.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5514 0.0485 -0.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 1.4660 0.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5676 -0.6243 0.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5100 -0.8534 -1.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6239 -0.2125 -0.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0516 1.4247 0.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 1.8001 -2.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4533 1.2695 -1.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8056 -1.0838 -2.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7777 -0.4198 -2.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1455 1.1447 -4.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8264 0.7146 -4.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2916 -1.1759 -5.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1025 -0.3560 -6.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9957 -2.7384 -4.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3253 -1.5645 -3.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 -2.3631 -5.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 5.8936 3.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4503 7.3920 2.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6117 6.4868 1.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5288 5.0808 0.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5180 5.7107 3.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7590 4.5422 1.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5445 4.4543 3.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7636 3.2232 2.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0725 2.7716 3.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5307 3.8664 5.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3871 2.6462 5.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5169 0.3087 5.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2091 0.9273 3.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1369 -0.3028 3.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5221 -0.2581 6.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6645 -2.6167 5.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5450 -3.4387 3.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4217 -2.1616 2.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8729 -4.4653 5.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6862 -4.4878 4.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5969 -1.9797 2.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6908 -3.3738 1.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6960 -1.5093 4.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -1.7571 3.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0415 -2.3651 0.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1714 -3.6070 1.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4548 -4.8483 2.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4324 -5.1096 1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4619 -2.5821 -0.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1517 -3.0534 -0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0787 -4.5971 -1.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7496 -5.1825 -1.3533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5024 -3.7216 -2.3857 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 1 0 51 52 1 0 52 53 2 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 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 0 25102 1 0 26103 1 1 27104 1 0 27105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 43132 1 0 47133 1 0 47134 1 0 48135 1 0 48136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 62156 1 0 63157 1 0 63158 1 0 64159 1 0 65160 1 0 66161 1 0 66162 1 0 67163 1 0 67164 1 0 67165 1 0 M END