HMDB0044286 RDKit 3D TG(16:0/18:3(6Z,9Z,12Z)/20:1(11Z)) 165164 0 0 0 0 0 0 0 0999 V2000 0.9307 -3.6550 -7.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2575 -4.1472 -6.3676 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9908 -5.2322 -7.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1812 -5.6741 -6.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7982 -6.2826 -5.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0101 -7.5132 -5.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2925 -8.7268 -4.8243 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4931 -9.0408 -4.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0725 -9.7324 -2.7817 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2399 -9.3473 -1.5679 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8968 -8.0942 -1.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8515 -7.4074 -0.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4077 -6.2068 -0.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8787 -5.3364 -1.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4056 -4.0514 -0.8535 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4532 -4.4376 0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0869 -3.3671 0.9462 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1302 -2.6417 1.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8985 -2.5192 1.4538 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4527 -2.0460 2.9827 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5732 -1.3385 3.7795 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9160 -2.1480 4.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0507 -1.3240 5.5961 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0347 -0.5861 5.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2987 -0.6319 3.9332 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8418 0.2148 6.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2237 1.3787 6.7235 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1552 2.5866 5.9555 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9912 3.3547 5.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4480 4.6784 4.7535 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5429 5.5567 4.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0199 6.9545 3.8702 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0992 7.8748 3.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8741 7.7313 2.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1079 8.0534 1.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8194 7.3429 0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2651 5.9658 -0.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2184 4.9185 -0.3492 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3679 4.9451 -1.5371 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5364 6.0193 -1.9234 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6717 6.4332 -1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4606 6.9576 0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8725 7.2937 0.8083 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6677 7.8312 2.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9055 0.0151 4.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9636 0.9510 3.2357 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8686 1.0416 2.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7753 0.2522 2.0757 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5886 2.2183 1.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1228 1.9633 0.8449 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0441 0.6415 0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6352 0.1832 -0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2294 1.1952 -0.8355 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6083 0.6317 -1.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2935 0.1750 0.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6937 -0.3836 -0.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 0.6222 -0.6757 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9538 0.1136 -1.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1265 -0.7814 -2.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3736 -2.0392 -2.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9018 -2.7906 -3.5226 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1720 -4.0954 -3.6909 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7027 -3.8903 -3.8626 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 -3.1450 -8.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4948 -4.5378 -7.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5421 -2.9715 -6.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1461 -4.6058 -5.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9475 -3.3171 -6.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2474 -6.0463 -7.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3166 -4.7910 -8.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9180 -4.8704 -6.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6326 -6.5309 -6.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2151 -5.5653 -4.3882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7315 -6.5246 -4.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0539 -7.4474 -5.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6356 -9.5678 -5.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1402 -9.7972 -4.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1188 -8.1757 -3.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5523 -10.7231 -2.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 -10.0183 -0.7556 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2836 -7.5565 -1.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7552 -8.3252 -0.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4310 -7.9727 0.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6067 -5.7976 0.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9726 -5.0227 -2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6028 -5.7545 -2.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8163 -3.4287 -1.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5321 -3.5392 -0.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2433 -4.9989 -0.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0436 -5.2119 0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5855 -2.6505 0.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9324 -3.8084 1.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6462 -1.1997 3.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3669 -2.9902 4.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7090 -2.5828 5.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8207 0.5120 5.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1383 -0.5114 6.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8995 1.7865 7.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6733 1.0336 7.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6989 3.3310 6.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8178 2.3045 5.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7117 3.6552 6.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4993 2.7971 4.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 4.3482 3.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2117 5.1873 5.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3377 5.6538 4.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0096 5.1434 3.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5089 7.3501 4.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2266 6.8594 3.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8083 7.9655 4.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 8.9235 3.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6966 8.5286 2.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4733 6.7949 2.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6877 9.0956 1.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2069 7.8308 -0.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8931 5.6666 0.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9974 5.9329 -1.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 3.9088 -0.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6916 4.7814 0.6221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0677 4.7068 -2.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2037 3.9336 -1.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0112 6.8886 -2.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0585 5.5873 -2.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1959 7.2757 -1.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4881 5.6545 -1.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0449 6.2719 1.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 7.9382 0.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2547 8.1165 0.1594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5203 6.3980 0.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6285 8.1226 2.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2518 7.0121 2.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9289 8.6355 2.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1392 0.3583 4.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8565 0.0314 4.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6442 3.1059 1.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2870 2.1271 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 1.9105 1.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7872 2.8169 0.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6777 -0.0972 0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4649 0.8547 -0.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1544 -0.1105 0.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6397 -0.7647 -0.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1849 1.4967 -1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3675 2.0987 -0.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1949 1.4825 -1.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5558 -0.1746 -1.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3849 0.9876 0.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7494 -0.6723 0.6446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1052 -0.6116 0.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5533 -1.3281 -0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1632 1.2019 -1.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7726 1.4560 0.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4166 -0.4193 -0.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6941 0.9857 -1.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2365 -1.0672 -2.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9661 -0.1696 -3.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2943 -1.7507 -2.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3743 -2.6854 -1.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8175 -2.1503 -4.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9796 -2.9454 -3.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3342 -4.6708 -2.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5879 -4.6340 -4.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3343 -4.5630 -4.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4480 -2.8444 -4.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1691 -4.1392 -2.9234 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 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 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 2 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 21 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 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 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 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 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 21 93 1 6 22 94 1 0 22 95 1 0 26 96 1 0 26 97 1 0 27 98 1 0 27 99 1 0 28100 1 0 28101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 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 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 44130 1 0 44131 1 0 44132 1 0 45133 1 0 45134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 1 0 57152 1 0 58153 1 0 58154 1 0 59155 1 0 59156 1 0 60157 1 0 60158 1 0 61159 1 0 61160 1 0 62161 1 0 62162 1 0 63163 1 0 63164 1 0 63165 1 0 M END