HMDB0044758 RDKit 3D TG(18:0/18:0/20:3(5Z,8Z,11Z)) 173172 0 0 0 0 0 0 0 0999 V2000 -10.8329 -0.5295 8.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4138 -0.2176 7.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5234 -0.6040 8.8221 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0754 -0.3666 8.5595 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7191 1.0736 8.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2274 1.1026 8.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7316 2.4876 7.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4380 3.0673 6.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8755 4.3998 6.2035 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2719 4.7444 5.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1037 3.7899 3.9693 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7202 4.3545 2.7483 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0208 4.5263 1.6575 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5956 4.1827 1.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5036 3.1497 0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7927 3.1848 -0.6162 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9198 4.2980 -0.9698 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2057 4.9635 -2.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2841 4.1067 -3.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1679 3.2288 -3.7271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7124 3.0241 -2.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0751 2.5170 -4.9213 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1964 1.6794 -4.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7159 1.0417 -6.0810 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9392 0.6061 -7.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3427 -0.6942 -7.2108 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2888 -1.0541 -8.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2735 -0.1082 -9.2807 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9486 -2.2856 -8.8018 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0365 -3.4837 -8.6875 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2216 -3.9453 -7.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0697 -4.6035 -6.7654 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9806 -5.1117 -5.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8805 -3.9761 -4.3404 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7437 -4.6138 -3.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8495 -3.8007 -1.7955 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0436 -2.5835 -1.5992 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -1.4734 -2.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8556 -1.1234 -2.4912 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0777 -0.0421 -3.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4519 0.4262 -3.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3189 1.0307 -2.7597 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7712 0.2636 -1.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7127 1.1331 -0.7214 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1209 0.3054 0.4756 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8028 0.1998 -5.6424 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1287 0.5475 -5.7218 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4077 1.6588 -6.2332 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2310 -0.2988 -5.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8277 -1.7310 -4.9405 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0556 -2.3836 -4.3701 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9581 -3.8124 -4.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9160 -4.2043 -3.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0048 -3.4951 -1.7003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9265 -4.0668 -0.8605 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6951 -3.5652 0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2300 -2.2044 0.7641 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0257 -1.0315 0.3793 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3914 -0.9726 1.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 -0.9124 2.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6615 0.1573 3.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9974 1.5696 3.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8723 2.2271 1.7146 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2260 3.7247 1.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6282 3.9359 2.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9873 -1.6230 7.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5770 -0.0166 7.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9501 -0.2971 9.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3753 0.8853 7.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1777 -0.7749 6.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8671 -0.0095 9.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6471 -1.6896 9.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7125 -1.0245 7.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5190 -0.6777 9.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9487 1.7155 9.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2727 1.4472 7.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0720 0.4853 7.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6511 0.6273 8.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8935 3.1664 8.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6389 2.4470 7.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5145 3.2473 6.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3605 2.3091 5.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9783 5.1637 7.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8655 5.7548 4.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0250 3.6488 3.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6251 2.8118 4.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7703 4.6280 2.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5010 4.9548 0.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0908 5.1298 1.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0926 3.7570 2.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1261 2.2384 0.6352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8591 2.2958 -1.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1411 3.9242 -0.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8953 5.0751 -0.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2282 5.4434 -2.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5172 5.8463 -2.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3511 4.8098 -4.3638 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2776 3.5818 -3.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0149 2.2482 -4.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 0.8855 -4.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3272 1.9879 -6.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 0.6586 -8.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0406 1.2943 -7.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2037 -2.2146 -9.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9165 -2.4628 -8.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5015 -4.3344 -9.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9287 -3.2940 -9.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5235 -3.1140 -6.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0199 -4.7002 -7.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8828 -3.8294 -6.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3031 -5.4641 -7.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0352 -5.7283 -5.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7895 -5.8193 -5.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6755 -3.2578 -4.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1537 -3.5574 -4.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1767 -5.2544 -2.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5780 -5.3880 -2.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 -3.6280 -1.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 -4.4837 -0.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0827 -2.1952 -0.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0274 -2.8432 -1.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1441 -0.5515 -2.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0303 -1.5543 -3.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0274 -0.6908 -1.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5222 -1.9463 -2.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3806 0.8357 -3.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6663 -0.3676 -4.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4105 1.0385 -4.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0204 -0.5164 -4.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2748 1.3585 -3.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9195 2.0508 -2.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4357 -0.5901 -1.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0393 -0.1750 -0.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2587 2.0678 -0.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5976 1.3293 -1.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9954 0.7301 1.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3210 -0.7542 0.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2635 0.2816 1.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7329 0.1298 -4.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9968 -0.3646 -6.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4671 -2.2623 -5.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9945 -1.7282 -4.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2958 -1.8241 -3.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9310 -2.1505 -5.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9622 -4.1693 -3.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7346 -4.3736 -4.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9285 -5.2910 -2.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9008 -3.9328 -3.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9932 -3.7523 -1.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0029 -2.4277 -1.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9566 -4.1760 -1.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2027 -5.1867 -0.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -4.2690 1.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6819 -3.7530 1.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1645 -2.1272 0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0072 -2.1397 1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0951 -0.8183 -0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 -0.1031 0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0891 -0.2569 0.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9263 -1.9807 0.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4759 -0.8563 2.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0517 -1.9482 2.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7616 -0.0804 4.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5214 0.0657 3.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3462 2.1477 3.7688 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0314 1.7589 3.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5711 1.8198 0.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8232 2.1968 1.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0980 4.1414 0.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5303 4.2501 2.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 4.7608 1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2740 3.0550 2.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6567 4.3015 3.3284 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 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 2 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 43 44 1 0 44 45 1 0 24 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 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 3 72 1 0 4 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 6 78 1 0 7 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 23 99 1 0 23100 1 0 24101 1 6 25102 1 0 25103 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 41128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 44134 1 0 44135 1 0 45136 1 0 45137 1 0 45138 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 62165 1 0 62166 1 0 63167 1 0 63168 1 0 64169 1 0 64170 1 0 65171 1 0 65172 1 0 65173 1 0 M END