HMDB0044272 RDKit 3D TG(16:0/18:2(9Z,12Z)/20:4(8Z,11Z,14Z,17Z)) 161160 0 0 0 0 0 0 0 0999 V2000 -9.2009 -2.1279 -8.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6922 -0.9116 -8.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2401 -1.0414 -8.8948 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4492 -0.1386 -8.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8565 1.1106 -7.6836 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2554 2.2462 -8.3878 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4361 3.0744 -7.7892 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1042 2.8627 -6.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6798 2.6381 -6.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9794 3.3273 -5.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5094 4.4179 -4.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3529 3.9238 -3.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6441 4.5184 -2.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8825 5.7450 -2.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3711 5.4905 -2.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1008 4.7723 -0.7656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3695 4.5805 -0.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7934 3.7099 0.5363 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2381 2.3282 0.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6105 1.3338 1.3703 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8007 1.0310 2.2747 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8208 0.7031 1.3788 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3665 -0.2569 2.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6125 -1.5837 2.1026 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4275 -2.6361 2.8547 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5567 -2.4201 4.2325 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3259 -3.3007 5.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8720 -4.2400 4.3181 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5755 -3.3074 6.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3044 -2.1479 7.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0745 -0.9041 7.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0109 -0.2397 5.8028 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7511 1.0966 5.8403 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2062 0.9755 6.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9621 0.2248 5.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4148 0.1007 5.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1914 -0.5749 4.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1767 0.2117 3.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9708 -0.4788 1.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4303 -1.8295 1.5992 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0143 -1.7106 1.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5305 -3.1006 0.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1266 -3.0462 0.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5543 -1.9618 0.7557 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3627 -2.3679 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3558 -2.3681 0.8176 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 -2.7270 -1.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3125 -3.1129 -2.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7675 -2.1733 -2.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6021 -1.5781 -1.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6478 -0.7287 -1.9457 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7059 -0.1177 -1.1412 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8093 -0.9309 -0.5764 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4760 -2.0099 0.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8638 -2.0748 1.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6878 -1.0508 2.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9486 -1.7161 2.6547 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1533 -1.3660 2.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3885 -0.2433 1.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1399 -0.6670 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5154 -1.2102 0.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2848 -1.5980 -0.7708 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6451 -2.0993 -0.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2759 -1.9733 -7.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6571 -2.1976 -7.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0124 -3.0756 -8.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1341 -0.0518 -8.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0846 -1.0777 -9.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7532 -1.9272 -9.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3604 -0.2880 -8.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5765 0.9654 -6.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9756 1.2796 -7.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5213 2.3817 -9.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9848 3.9360 -8.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3116 3.9459 -5.9552 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7709 2.2776 -5.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2026 1.8436 -6.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9152 3.1081 -5.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5576 4.6473 -4.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9525 5.3520 -4.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8800 2.9955 -2.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5992 4.0741 -1.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9629 6.2989 -3.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1554 6.4537 -1.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0393 4.9289 -2.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 6.4907 -2.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4799 5.4931 0.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 3.8583 -0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8282 5.5911 -0.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 4.1540 -1.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8781 3.6539 0.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4463 4.1763 1.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1253 2.3805 0.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 1.9986 -0.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5179 0.0109 3.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3914 -0.4959 1.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6452 -1.5582 2.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3829 -2.8866 2.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7922 -3.5703 2.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7051 -3.5216 6.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1367 -4.2478 6.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3242 -2.4824 8.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2028 -1.8800 7.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7331 -0.1969 7.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1715 -1.0966 7.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9804 -0.0627 5.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5103 -0.9118 5.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2341 1.7347 6.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6931 1.5965 4.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3554 0.5199 7.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6340 2.0027 6.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5255 -0.7812 4.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8887 0.8725 4.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5488 -0.3895 6.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8081 1.1414 5.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2500 -0.7195 4.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7785 -1.5959 4.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6702 1.1934 3.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1495 0.3787 2.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0181 -0.6343 2.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0245 0.1499 1.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0718 -2.2147 0.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4625 -2.5466 2.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0871 -1.1330 0.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3328 -1.2602 1.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5412 -3.7546 1.6206 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2153 -3.5734 -0.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7769 -1.9724 0.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0560 -3.4880 -0.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4087 -3.6058 0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3209 -3.5043 -1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0106 -1.8136 -1.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -3.5866 -3.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 -4.0728 -1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5078 -2.6983 -3.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3977 -1.3387 -3.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9597 -0.8221 -0.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9853 -2.3250 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1221 -1.3561 -2.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0759 0.1097 -2.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1616 0.7913 -1.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1557 0.4374 -0.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5866 -0.2220 -0.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4003 -1.3353 -1.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9060 -2.8877 -0.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5621 -2.9462 2.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7959 -0.0980 1.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1180 -0.7618 3.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8511 -2.5778 3.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0403 -1.9353 2.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5427 0.4105 1.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1404 0.4281 1.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6255 -1.5150 -0.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2837 0.2226 -0.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3377 -2.0852 1.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1203 -0.4553 0.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7779 -2.3525 -1.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4955 -0.7213 -1.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5376 -2.9121 0.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1078 -1.2165 0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3054 -2.3944 -1.1241 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 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 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 24 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 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 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 23 95 1 0 23 96 1 0 24 97 1 1 25 98 1 0 25 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 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 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 63161 1 0 M END