HMDB0044884 RDKit 3D TG(18:0/16:1(9Z)/18:0) 165164 0 0 0 0 0 0 0 0999 V2000 2.0836 2.1557 1.8179 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6723 0.8320 2.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4395 0.4948 3.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9157 -0.8463 4.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5819 -1.3572 5.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 -2.7085 5.6188 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4009 -3.4088 6.7885 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6437 -3.7744 7.7845 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2168 -3.5352 7.8569 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6372 -4.7646 7.9974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 -5.7674 6.9082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9951 -5.1633 5.5984 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4268 -4.6632 5.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8471 -4.0077 4.3808 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7898 -4.8093 3.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2280 -3.8955 2.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6856 -2.7267 2.2897 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1704 -4.2296 0.6706 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5943 -3.2922 -0.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5965 -3.8707 -1.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0437 -2.8745 -2.1724 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7454 -1.7644 -1.7184 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9980 -1.6792 -0.5062 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1681 -0.7060 -2.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9094 0.3528 -1.9075 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2927 1.5554 -2.7496 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0169 2.2052 -3.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1151 2.5826 -2.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6955 3.5662 -1.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6665 3.7096 -0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1172 4.7024 0.9673 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2477 4.8539 2.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8411 5.2332 1.9683 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5454 6.5339 1.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0122 6.6369 1.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4983 7.8900 0.6676 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0175 7.8360 0.7663 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 9.0180 0.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2149 8.7754 0.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4291 8.6538 1.9104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3172 -2.8486 -1.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7311 -1.9472 -2.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8105 -1.3019 -2.8801 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6162 -1.5983 -2.6612 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3245 -0.3730 -3.8896 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3025 0.3896 -4.6539 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 -0.4895 -5.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0945 -1.3563 -6.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1107 -2.1736 -7.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6844 -3.0867 -6.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6963 -3.8475 -7.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4926 -4.7472 -6.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1156 -3.8898 -5.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9903 -2.7947 -5.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4890 -1.9685 -4.4883 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3059 -2.7890 -3.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7744 -1.9402 -2.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6202 -2.8254 -1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1043 -2.1296 -0.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9051 -0.9179 -0.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4247 -0.2069 0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1986 2.6761 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 2.0870 1.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3895 2.8140 2.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9321 0.0453 1.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6126 0.7208 2.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3014 1.2907 4.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4996 0.4171 3.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8179 -0.8585 4.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1447 -1.5769 3.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6628 -1.4122 5.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2491 -0.6710 6.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1947 -3.3209 4.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8523 -2.5201 5.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5034 -3.6349 6.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1662 -4.3054 8.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2221 -2.8463 7.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0432 -2.9690 8.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6726 -4.4323 8.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3402 -5.3116 8.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2682 -6.6235 7.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4487 -6.1892 6.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 -4.4894 5.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0449 -6.0575 4.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1291 -5.5112 5.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5751 -3.9387 6.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9272 -3.7041 4.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3309 -3.0452 4.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7865 -5.2038 2.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4954 -5.6795 3.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9958 -2.4158 0.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1735 -4.6909 -1.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4744 -4.1916 -0.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8642 -1.2047 -3.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3310 -0.3295 -3.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3331 0.6253 -1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8481 -0.1135 -1.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8966 2.2894 -2.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8512 1.1826 -3.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3256 3.1381 -3.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4612 1.5857 -3.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2241 3.0841 -2.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7065 1.7185 -1.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7129 4.5908 -1.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6860 3.3217 -0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5336 2.6885 0.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6988 4.0273 -0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3034 5.6673 0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1163 4.3276 1.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7366 5.5546 2.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2575 3.8719 2.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3540 5.2782 2.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2947 4.4220 1.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8361 6.5139 0.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9850 7.4028 1.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6603 5.7140 0.7915 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 6.5339 2.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8769 8.0800 -0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7963 8.7430 1.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3394 6.9161 0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2736 7.7658 1.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5655 9.1051 -0.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4352 9.9463 0.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8349 9.5424 -0.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4648 7.7754 -0.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4429 8.9927 2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2909 7.5773 2.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6856 9.2513 2.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6311 -2.4379 -0.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8379 -3.7601 -1.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9656 -0.8971 -4.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0585 0.3331 -3.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7399 1.1022 -3.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8711 0.9851 -5.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2287 -1.1445 -4.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4087 0.1335 -5.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 -2.0806 -5.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7076 -0.6918 -7.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6545 -2.7408 -7.9693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5703 -1.4693 -7.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2268 -2.4975 -5.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0204 -3.8681 -5.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1202 -4.4883 -7.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3092 -3.1480 -7.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3089 -5.1937 -6.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8844 -5.5288 -5.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8207 -4.6140 -4.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4077 -3.5963 -4.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8430 -3.2771 -6.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4873 -2.1435 -6.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6530 -1.4812 -3.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1284 -1.1242 -4.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2066 -3.1855 -4.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7009 -3.6014 -3.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8852 -1.5864 -1.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3329 -1.0715 -2.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5227 -3.1644 -2.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0968 -3.7740 -1.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7246 -2.8682 0.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2261 -1.8201 0.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7419 -1.2013 -1.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2254 -0.2339 -1.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6609 0.8489 0.3965 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7181 -0.3464 1.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3559 -0.7185 0.9086 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 2 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 2 0 16 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 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 19 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 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 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 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 6 74 1 0 7 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 19 91 1 0 20 92 1 0 20 93 1 0 24 94 1 0 24 95 1 0 25 96 1 0 25 97 1 0 26 98 1 0 26 99 1 0 27100 1 0 27101 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 40128 1 0 41129 1 0 41130 1 0 45131 1 0 45132 1 0 46133 1 0 46134 1 0 47135 1 0 47136 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 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 61165 1 0 M END