HMDB0007776 RDKit 3D DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z)/0:0) 122121 0 0 0 0 0 0 0 0999 V2000 -15.2368 0.5647 2.9163 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2216 -0.1469 2.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5392 0.9016 1.2529 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5143 1.0614 -0.0528 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1830 0.1932 -0.9759 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5275 -0.5727 -2.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2794 -0.6564 -2.2744 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2132 0.0473 -1.5454 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4969 1.0239 -2.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2110 0.9725 -2.6399 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2743 -0.0638 -2.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1903 0.5545 -1.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8993 0.2983 -0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6307 -0.6641 0.6915 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9855 -1.8522 1.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7778 -2.2515 1.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6682 -1.6935 0.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2119 -2.6903 -0.7355 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1671 -2.4795 -2.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5389 -1.2299 -2.7118 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3659 -0.7851 -3.5558 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1826 -0.5366 -2.7654 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0965 -0.2663 -3.3911 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0919 -0.5578 -1.3925 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8151 -0.2900 -0.7719 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9452 -0.3614 0.7323 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8920 0.6741 1.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4099 1.9363 0.8613 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3817 -0.1312 1.2657 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0411 -1.0945 1.9777 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5044 -2.2023 2.1843 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4059 -0.8494 2.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3529 -1.0651 1.3581 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8058 -0.8654 1.7161 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0549 0.5223 2.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6795 1.5626 1.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4003 1.5407 -0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8956 1.7237 0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4633 1.7210 -1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9743 1.9101 -1.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2449 3.1854 -0.6351 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9685 3.2705 0.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5951 2.1049 1.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0582 2.3519 1.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9818 1.6287 0.5324 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6605 0.4252 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3262 -0.8320 0.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8471 -0.6608 0.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5409 -1.8999 0.7727 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1965 -3.1034 -0.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0467 0.2893 3.9693 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2293 0.1841 2.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1908 1.6522 2.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6456 -0.9841 1.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4264 -0.6003 2.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9840 1.6416 1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9498 1.9574 -0.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0920 0.7759 -1.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7969 -0.5556 -0.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2315 -1.1913 -2.6658 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0146 -1.3263 -3.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3818 0.3185 -0.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4506 -0.8233 -1.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0772 1.8370 -2.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8386 1.7888 -3.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7048 -0.3868 -3.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6750 -0.9823 -1.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5885 1.3075 -1.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0779 0.9108 0.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0074 -0.0909 1.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6375 -0.9241 0.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6663 -2.5264 1.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5141 -3.2299 1.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7550 -1.6649 1.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7129 -0.7199 -0.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9103 -3.6512 -0.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8053 -3.3493 -2.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4612 -1.3544 -3.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6789 -0.3987 -1.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7200 0.1411 -4.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1843 -1.5922 -4.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4962 0.7268 -1.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0690 -1.0477 -1.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2566 -1.3565 1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9635 0.5987 2.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8787 0.5257 0.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9502 2.3179 1.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4456 0.2474 2.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6451 -1.4738 3.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0282 -0.3891 0.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1711 -2.1040 1.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3739 -0.9429 0.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2032 -1.6530 2.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1278 0.5728 2.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4878 0.6094 3.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7915 2.5575 1.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5802 1.5191 1.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1442 0.5925 -0.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9575 2.3453 -0.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3577 0.9868 0.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0744 2.7403 0.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1973 0.8095 -1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0361 2.5889 -1.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4132 1.0290 -0.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2445 2.0137 -2.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7990 4.1117 -1.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1441 4.2479 0.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3091 2.1561 2.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2816 1.1284 0.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3574 3.2600 1.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0537 1.9598 0.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5868 0.2254 -0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9853 0.6003 -1.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0268 -1.7119 -0.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0290 -1.0169 1.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0463 0.1353 1.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1428 -0.3465 -0.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1671 -2.0850 1.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6352 -1.6982 0.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1570 -3.4016 0.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3846 -2.8289 -1.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8705 -3.9282 0.2023 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 26 29 1 0 29 30 1 0 30 31 2 0 30 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 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 18 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 21 80 1 0 21 81 1 0 25 82 1 0 25 83 1 0 26 84 1 6 27 85 1 0 27 86 1 0 28 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 49119 1 0 50120 1 0 50121 1 0 50122 1 0 M END