HMDB0045917 RDKit 3D TG(20:0/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 173172 0 0 0 0 0 0 0 0999 V2000 -6.0748 -9.2371 -1.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1191 -8.8393 -2.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9374 -7.3989 -2.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8227 -6.7487 -2.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5480 -7.5148 -1.9143 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9586 -7.1547 -0.6142 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7809 -6.6213 -0.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0897 -6.3292 -1.6799 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3677 -7.0621 -1.4194 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5312 -6.4251 -1.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6339 -4.9630 -1.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6258 -4.6576 -2.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6711 -3.9055 -2.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9902 -3.2806 -1.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3163 -3.8065 -0.7232 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3438 -3.0633 -0.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3496 -1.5996 -0.7202 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8279 -0.9864 0.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2402 -0.0981 1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9382 0.4895 0.9389 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0511 0.2867 2.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7637 0.9509 2.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4157 1.3844 0.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8519 1.1641 3.0603 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 1.8318 2.7688 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7695 2.0317 4.0018 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2844 0.7572 4.6075 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2773 -0.1273 5.0422 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9049 -1.3782 5.5938 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3248 -1.6047 5.6645 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9405 -2.3312 6.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1046 -2.4879 5.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -3.0808 3.7871 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8588 -2.3732 3.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7326 -2.8062 1.5529 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5234 -2.0256 1.0599 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3067 -2.0960 -0.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 -1.4491 -0.7712 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1687 -0.0589 -0.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5012 0.4640 -0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9236 1.7611 -0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1038 1.6365 1.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0859 0.5769 1.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4580 0.2008 3.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1904 1.0986 3.9314 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5749 2.3958 4.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5424 3.0773 5.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9545 4.3850 5.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9205 5.0277 6.7849 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3549 2.8183 3.5596 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4738 4.1189 3.9234 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3453 4.6908 4.6472 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6573 4.9163 3.4154 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 6.2511 2.8636 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1427 6.0276 1.7882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5876 5.1863 0.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6914 5.6803 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5621 5.9378 -1.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2883 5.7638 -2.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 7.1054 -2.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1309 7.2235 -4.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0164 6.1099 -5.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 6.0514 -5.7507 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 6.1469 -7.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4783 6.3235 -8.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4117 5.2895 -9.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2453 3.8788 -8.7345 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3629 3.2315 -7.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0329 1.7527 -7.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4264 -10.2773 -1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5771 -9.1089 -0.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9530 -8.5491 -1.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2862 -9.5042 -2.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7653 -9.0525 -3.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8500 -6.7863 -2.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8117 -5.6489 -2.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7034 -8.6235 -1.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9367 -7.2660 -2.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5529 -7.3518 0.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3776 -6.3661 0.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2696 -5.2587 -1.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3069 -6.6409 -2.6271 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3539 -8.1540 -1.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4424 -6.9697 -1.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8178 -4.4707 -0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6710 -4.5569 -2.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3971 -5.1152 -3.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3439 -3.7390 -3.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9282 -2.1760 -1.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2914 -3.6713 -0.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3720 -4.8767 -0.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3143 -3.5300 -0.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1833 -1.4073 -1.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4684 -1.1474 -1.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8302 -1.3487 0.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7710 0.2654 2.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3745 -0.0402 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9954 1.5827 0.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6236 0.5317 3.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8989 -0.8333 2.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 1.2805 2.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8532 2.8199 2.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3367 2.6331 4.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 0.9309 5.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2792 0.2227 3.7764 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3528 -2.0379 7.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4598 -3.3372 6.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9662 -3.0018 5.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5324 -1.4394 4.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8961 -2.9904 3.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6905 -4.1959 3.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1618 -1.3121 2.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8584 -2.5248 3.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5611 -3.8967 1.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6516 -2.5690 1.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -0.9655 1.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3487 -2.4404 1.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1331 -1.5208 -0.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 -3.1056 -0.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 -1.4559 -1.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8728 -2.0410 -0.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1966 -0.1522 0.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 0.5650 -0.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3453 0.6772 -1.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2948 -0.2796 -0.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2158 2.5812 -0.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9331 2.0125 -0.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1177 1.4670 1.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4886 2.6256 1.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9993 0.8270 1.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7712 -0.4145 1.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0347 -0.8218 3.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4904 -0.1555 3.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2153 1.3669 3.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5336 0.5342 4.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4720 3.1329 3.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5998 2.2403 4.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6085 2.3963 6.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5209 3.1909 4.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8699 5.0265 4.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9873 4.2021 6.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7930 6.1143 6.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9715 4.7633 6.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6730 4.7040 7.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2424 5.1647 4.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2726 4.3328 2.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8229 6.8709 3.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0612 6.7226 2.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2746 6.9652 1.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7037 5.4806 2.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2829 4.9039 0.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9423 4.1586 1.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6757 5.8469 0.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4352 6.3092 -2.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 4.9705 -2.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5751 5.4686 -1.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0984 7.9714 -2.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3396 8.2351 -4.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7607 6.4947 -5.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2763 5.1462 -4.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2440 5.9181 -5.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6037 6.0941 -7.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6962 7.3122 -8.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5476 6.4235 -7.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3469 5.3612 -9.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4119 5.5684 -9.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6792 3.7487 -8.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0495 3.2343 -9.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5817 3.6790 -7.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2923 3.1831 -8.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8764 1.2767 -7.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 1.7529 -7.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8112 1.2085 -8.6331 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 2 0 16 17 1 0 17 18 1 0 18 19 2 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 2 0 29 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 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 26 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 63 64 2 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 4 76 1 0 5 77 1 0 5 78 1 0 6 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 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 0 25102 1 0 26103 1 1 27104 1 0 27105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 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 47138 1 0 47139 1 0 48140 1 0 48141 1 0 49142 1 0 49143 1 0 49144 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 58154 1 0 59155 1 0 59156 1 0 60157 1 0 61158 1 0 62159 1 0 62160 1 0 63161 1 0 64162 1 0 65163 1 0 65164 1 0 66165 1 0 66166 1 0 67167 1 0 67168 1 0 68169 1 0 68170 1 0 69171 1 0 69172 1 0 69173 1 0 M END