HMDB0052741 RDKit 3D TG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z)) 159158 0 0 0 0 0 0 0 0999 V2000 9.0863 -1.0027 8.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7097 -0.7385 7.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7208 0.6547 6.9927 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9246 1.5800 7.4057 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8506 1.5722 8.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5224 0.4048 9.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4163 -0.2992 9.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2529 0.0645 8.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0526 0.3269 9.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9653 -0.3694 8.9965 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7502 -1.4454 8.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4114 -1.1586 7.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2155 0.1334 6.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3994 0.2764 5.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4462 1.5008 4.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3011 1.7057 3.6561 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 2.9902 2.8639 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7799 2.8866 2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8966 3.1186 2.5678 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7497 2.5334 0.7052 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8994 2.4105 -0.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8893 3.4431 -1.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1452 3.1933 -1.8949 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5528 3.8381 -3.0167 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7356 4.7091 -3.4897 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8066 3.6722 -3.7621 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9413 3.0550 -3.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8187 1.6710 -2.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5485 0.6426 -3.5893 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5395 -0.7569 -2.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2861 -1.7724 -4.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3323 -3.2179 -3.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6823 -3.4796 -3.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8650 -3.9677 -1.8406 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8099 -4.3400 -0.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9516 -3.5543 0.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0068 -2.8092 0.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6904 -2.6209 0.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5828 -3.1082 1.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 -2.9070 0.5488 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 -3.3796 1.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 -2.6963 2.7521 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9840 1.0218 -0.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8486 0.7999 -1.5482 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 -0.3633 -2.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6457 -1.2178 -2.2112 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5541 -0.6444 -3.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7572 -1.9531 -3.8162 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3024 -2.4239 -4.7302 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5529 -1.5003 -5.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6006 -2.0880 -6.8236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9485 -2.2879 -6.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5387 -0.9077 -5.8878 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8363 -1.0152 -5.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2526 -0.5593 -4.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5642 0.2171 -3.1574 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2078 0.6693 -3.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8306 1.9283 -3.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6937 3.0630 -3.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6704 4.0745 -4.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0011 3.7184 -5.5981 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0698 2.7776 -6.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6313 2.5292 -7.7123 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8640 -0.5309 7.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1322 -0.5370 9.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2785 -2.0943 8.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9588 -1.0814 8.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7725 -1.4348 6.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5049 0.9238 6.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1091 2.5907 6.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0711 2.4582 9.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9173 2.0142 7.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2948 0.0542 9.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3291 -1.1845 9.8241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1268 -0.8207 7.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 0.9424 7.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1306 1.1398 9.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1283 -0.0967 9.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3685 -2.3289 8.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6335 -1.7601 7.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3369 -1.1397 7.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4808 -2.0439 6.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 0.9446 7.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7453 0.0805 5.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -0.6657 4.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3100 0.3040 6.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6305 2.4265 5.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3628 1.3742 3.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1523 0.9100 2.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6098 1.9035 4.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7267 3.8451 3.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3373 3.2400 2.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8410 2.5845 0.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0403 3.3125 -1.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9850 4.4305 -0.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1320 4.7221 -4.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5388 3.1673 -4.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8331 3.0862 -3.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2014 3.7030 -2.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1294 1.6009 -1.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8274 1.4074 -2.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5964 0.7940 -4.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3576 0.6081 -4.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5631 -0.9404 -2.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8525 -0.8171 -2.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2547 -1.6066 -4.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0423 -1.6929 -4.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4980 -3.3674 -2.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2032 -3.8422 -4.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5660 -3.2280 -3.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8993 -4.1381 -1.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7946 -4.3739 -1.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9821 -5.4253 -0.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9074 -3.6055 0.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1975 -2.2642 1.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5221 -3.0367 -0.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5135 -1.4938 0.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6424 -2.5159 2.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7689 -4.1641 1.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0341 -1.8234 0.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2044 -3.5157 -0.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0767 -4.4804 1.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1454 -3.1378 0.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2635 -3.1511 3.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0091 -2.7059 3.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7112 -1.6439 2.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0006 0.3237 0.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8619 0.9954 -1.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3495 -0.7403 -2.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4898 0.1669 -3.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7287 -1.8982 -4.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9466 -2.7756 -3.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2354 -2.6313 -4.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0456 -3.4160 -5.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7239 -0.4558 -5.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 -1.4977 -6.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7383 -1.3069 -7.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1931 -2.9673 -7.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9078 -2.9321 -5.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6013 -2.7228 -7.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7448 -0.3445 -5.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7138 -0.4681 -6.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5928 -1.5961 -5.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3515 -0.7929 -3.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2204 1.1053 -2.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6599 -0.3855 -2.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -0.1225 -3.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7423 2.1011 -3.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7384 2.8621 -2.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2802 3.6165 -2.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7088 4.6663 -4.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4367 4.8714 -3.8993 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0607 4.6696 -6.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0243 3.2653 -5.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1246 3.3715 -6.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7936 1.8830 -5.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7032 2.2229 -7.5331 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5832 3.4142 -8.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1344 1.6323 -8.1491 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 1 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 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 21 43 1 0 43 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 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 2 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 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 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 0 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 34111 1 0 35112 1 0 35113 1 0 36114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 42126 1 0 43127 1 0 43128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 61154 1 0 62155 1 0 62156 1 0 63157 1 0 63158 1 0 63159 1 0 M END