HMDB0109878 RDKit 3D TG(19:0/a-13:0/18:0)[rac] 161160 0 0 0 0 0 0 0 0999 V2000 -3.0951 3.8334 -1.5009 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1853 3.9812 -2.9969 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8066 2.6213 -3.6243 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8811 2.7204 -5.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5497 1.5894 -5.9517 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3338 0.3418 -5.9567 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4253 -0.4520 -4.7003 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2240 -1.7424 -4.9784 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6363 -2.6054 -5.9837 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3200 -3.2073 -5.9344 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8314 -4.1766 -4.9719 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6049 -3.9568 -3.5548 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6498 -3.5470 -2.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8619 -4.4283 -2.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8332 -3.9261 -1.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3563 -4.0416 -0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4385 -3.4599 0.7315 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2962 -3.5889 2.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1769 -3.0781 2.9096 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2393 -3.2062 4.2028 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0136 -2.4621 2.4823 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0648 -2.0656 3.5354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 -1.4333 2.9859 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1376 -0.9121 3.9948 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3347 -0.1055 4.9802 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0971 -0.2448 6.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5104 -1.4293 6.3431 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5137 0.8247 7.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8752 2.1792 6.6849 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3064 2.6451 5.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7893 3.9708 4.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6645 4.1997 4.9568 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3797 4.4302 6.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9097 4.4924 5.9865 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2370 5.4888 4.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7302 5.5551 4.7139 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0258 6.4562 3.5142 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3394 5.8288 2.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8871 4.4730 2.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1881 3.7273 0.9604 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7528 3.5175 1.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9127 2.7272 0.4866 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7251 3.2884 -0.8747 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8239 2.2951 -1.6313 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 -2.3098 2.0737 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0103 -2.0829 0.7325 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4688 -1.0440 0.2323 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7447 -3.0516 -0.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6734 -3.9113 0.7126 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7330 -3.0742 1.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6670 -2.4274 0.3503 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3851 -3.4470 -0.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3385 -2.9244 -1.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9690 -2.1717 -2.6115 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2452 -0.8872 -2.5716 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1147 -0.3222 -4.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3596 -1.2624 -4.9021 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3603 0.9737 -3.9112 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1838 1.6200 -5.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2092 4.3966 -1.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0096 4.2527 -0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0250 2.7710 -1.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4574 4.7490 -3.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1992 4.2556 -3.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7535 2.4508 -3.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4343 1.9053 -3.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9132 3.1107 -5.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2246 3.5879 -5.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4817 1.2625 -5.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3264 1.9312 -7.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3794 0.5366 -6.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8452 -0.3397 -6.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5087 -0.6204 -4.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1393 0.0857 -3.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1757 -1.2829 -5.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6242 -2.1152 -4.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8161 -2.0930 -7.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3841 -3.4885 -6.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1642 -3.6878 -6.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4916 -2.3970 -5.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3926 -5.1995 -5.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7858 -4.5709 -5.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7944 -3.1383 -3.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0568 -4.8407 -3.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9428 -2.5004 -2.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1531 -3.6594 -1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4946 -5.4542 -2.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3771 -4.4326 -3.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0479 -2.8407 -1.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8331 -4.4167 -1.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2782 -5.1197 0.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3987 -3.5344 -0.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3933 -3.9992 0.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6274 -2.4107 0.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4674 -4.6910 2.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2306 -3.0700 2.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9292 -2.9079 4.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6659 -1.2749 4.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1959 -0.5356 2.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6881 -1.7895 4.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9871 -0.3915 3.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6029 0.9899 7.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1674 0.5597 8.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2426 2.0018 6.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1188 2.8813 7.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1586 1.8797 4.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4590 2.7808 5.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2519 4.7897 5.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2423 4.2631 3.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8289 5.1344 4.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1908 3.3667 4.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1978 3.7920 7.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1349 5.4923 6.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3936 4.8583 6.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2923 3.4895 5.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7468 5.0903 3.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8407 6.4684 5.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2347 4.6137 4.7208 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1192 6.1406 5.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0854 6.5305 3.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 7.4129 3.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2665 5.9680 2.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7130 6.4778 1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8207 3.8144 2.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9842 4.4796 1.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6894 2.7425 0.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1992 4.2031 -0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8355 3.0146 2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2493 4.4721 1.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3324 1.6869 0.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9127 2.6060 0.9749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2296 4.2664 -0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6858 3.3349 -1.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3002 1.2821 -1.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1297 2.1885 -1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6578 2.5966 -2.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3665 -2.4850 -0.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0533 -3.6745 -0.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0688 -4.7442 0.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0476 -4.3360 1.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2323 -2.2447 1.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2743 -3.6823 2.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4132 -1.8679 0.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1409 -1.6933 -0.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6657 -4.1141 -1.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8768 -4.2257 0.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1637 -2.3078 -0.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9968 -3.8053 -1.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9635 -1.9318 -3.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4816 -2.8269 -3.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1608 -1.0538 -2.3157 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6602 -0.0882 -1.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1099 -0.1253 -4.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9623 -2.0567 -5.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9677 -0.6450 -5.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4594 -1.6171 -4.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3135 0.7107 -3.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8399 1.6791 -3.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9791 1.2937 -5.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1765 1.4827 -5.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3407 2.7078 -5.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 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 43 44 1 0 23 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 56 58 1 0 58 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 6 72 1 0 7 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 9 78 1 0 10 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 22 97 1 0 22 98 1 0 23 99 1 6 24100 1 0 24101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 44134 1 0 44135 1 0 44136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 57154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 59161 1 0 M END