HMDB0050643 RDKit 3D TG(20:1(11Z)/20:3n6/20:3(5Z,8Z,11Z)) 177176 0 0 0 0 0 0 0 0999 V2000 6.7992 7.7645 -1.8749 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5441 8.4293 -2.3543 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4024 7.4271 -2.5575 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0849 6.7282 -1.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9524 5.7196 -1.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7530 6.4656 -1.8695 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6607 6.5013 -1.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4524 5.8259 0.1633 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1681 6.8611 1.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9069 7.0416 2.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0834 6.2412 2.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9987 5.6474 3.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0116 4.4167 4.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1126 3.2877 3.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3781 2.5259 3.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4983 1.2744 2.6572 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3910 1.1857 1.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3092 2.0680 0.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2656 1.7377 -1.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9712 1.7260 -1.6843 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7523 0.7529 -2.5121 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9015 2.5839 -1.5552 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 2.4062 -2.2521 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4481 3.4143 -3.3583 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4744 3.3711 -4.2985 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6279 4.1011 -5.4383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7346 4.9401 -5.7144 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7794 3.9470 -6.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2357 2.5417 -6.5599 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1705 1.6565 -7.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6821 0.3132 -7.3992 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1426 -0.7451 -6.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9214 -0.6524 -6.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1131 -1.4283 -6.7466 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7393 -2.4503 -6.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4849 -2.9742 -4.9028 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7786 -2.8724 -4.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3923 -3.8994 -3.7126 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9217 -5.2665 -3.7984 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7596 -5.7927 -2.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3234 -7.1952 -2.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0687 -7.6137 -2.9453 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2158 -7.0560 -2.5357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5333 -5.6291 -2.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9616 -5.4199 -2.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3768 -3.9859 -2.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4973 2.1589 -1.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3424 0.9181 -0.7376 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2603 0.4284 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2224 1.1397 0.5086 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9891 -0.9461 0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9008 -1.8600 -0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3442 -1.5480 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2338 -2.4055 -0.7474 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6855 -2.1020 -0.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1359 -2.4944 0.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0262 -3.9965 0.9703 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4241 -4.6190 2.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5674 -4.2455 3.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1215 -4.9256 4.6098 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5173 -4.2969 5.6764 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4425 -2.8371 5.8054 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5120 -2.4857 6.9899 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1472 -3.1219 6.7128 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1928 -2.8106 7.8322 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8759 -3.4667 7.5778 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2423 -3.0272 6.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9773 -1.5571 6.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3426 -1.3029 4.8444 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8447 6.6905 -2.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7286 8.2123 -2.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9497 7.9230 -0.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7564 8.8106 -3.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2238 9.2500 -1.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8104 6.6853 -3.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5501 7.9160 -3.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0093 6.2730 -0.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7736 7.5270 -0.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8358 5.1299 -0.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2871 5.0710 -2.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7854 7.0090 -2.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1728 7.0984 -1.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5546 5.2874 0.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1396 5.0490 0.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7326 7.4772 0.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6852 7.8375 2.9434 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9273 7.0127 2.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4694 5.5673 1.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9157 6.3629 4.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 4.0554 5.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2576 2.6158 3.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0116 3.6284 2.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4863 2.3640 4.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2836 3.1559 3.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5442 0.8320 2.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7583 0.4814 3.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3448 1.4478 0.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5316 0.1197 0.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1143 3.1396 0.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3513 1.8916 0.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8026 0.7799 -1.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9165 2.5143 -1.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 1.4227 -2.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1544 4.3732 -2.9693 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 3.0050 -3.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5350 4.4540 -7.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6416 4.5175 -5.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6576 2.0714 -5.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0747 2.5940 -7.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0977 2.1077 -8.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1891 1.8119 -6.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5902 0.1549 -8.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5204 -1.7688 -7.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6111 0.3449 -5.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2536 -1.1265 -5.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3964 -1.1364 -7.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5095 -3.0097 -6.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 -2.4457 -4.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1129 -4.0111 -5.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1809 -1.8603 -4.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3610 -3.7112 -3.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7740 -5.9142 -4.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0826 -5.5119 -4.4266 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 -5.1112 -1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8506 -5.7165 -1.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 -7.4240 -1.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1748 -7.9046 -2.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0328 -8.7577 -2.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2003 -7.3477 -4.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3869 -7.3548 -1.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0196 -7.7085 -3.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6523 -5.4483 -3.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8683 -4.8720 -2.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0074 -5.7057 -1.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6723 -6.0460 -2.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8033 -3.7670 -3.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1361 -3.7951 -1.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5580 -3.2622 -2.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6559 2.9850 -0.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4524 2.1370 -1.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2283 -0.9339 1.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0448 -1.2325 0.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6273 -1.7051 -1.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6216 -2.8862 0.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6290 -1.6893 1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5854 -0.5099 -0.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9659 -3.4532 -0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0319 -1.9731 -1.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8512 -1.0257 -0.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2720 -2.7333 -1.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1946 -2.1743 0.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5902 -1.9793 1.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0340 -4.3693 0.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7370 -4.3878 0.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5063 -4.4072 2.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3719 -5.7221 2.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5470 -4.7291 3.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3557 -3.1890 3.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1832 -6.0304 4.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9254 -4.8984 6.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4605 -2.5161 6.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2706 -2.2502 4.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3827 -1.4140 7.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8855 -2.9196 7.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2464 -4.2123 6.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7725 -2.6442 5.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9990 -1.7038 7.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6116 -3.1310 8.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0418 -4.5594 7.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1535 -3.1981 8.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8989 -3.3160 5.4484 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2477 -3.5340 6.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -1.2593 7.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9210 -0.9726 6.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3675 -0.2263 4.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6899 -1.7303 4.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9431 -1.8620 4.1008 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 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 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 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 44 45 1 0 45 46 1 0 23 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 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 2 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 3 76 1 0 4 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 15 94 1 0 16 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 18 99 1 0 18100 1 0 19101 1 0 19102 1 0 23103 1 6 24104 1 0 24105 1 0 28106 1 0 28107 1 0 29108 1 0 29109 1 0 30110 1 0 30111 1 0 31112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 45135 1 0 46136 1 0 46137 1 0 46138 1 0 47139 1 0 47140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 57154 1 0 58155 1 0 58156 1 0 59157 1 0 59158 1 0 60159 1 0 61160 1 0 62161 1 0 62162 1 0 63163 1 0 63164 1 0 64165 1 0 64166 1 0 65167 1 0 65168 1 0 66169 1 0 66170 1 0 67171 1 0 67172 1 0 68173 1 0 68174 1 0 69175 1 0 69176 1 0 69177 1 0 M END