HMDB0007681 RDKit 3D DG(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)/0:0) 122121 0 0 0 0 0 0 0 0999 V2000 16.2690 -1.9741 1.9381 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9298 -1.0749 0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4681 -1.0513 0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6656 -0.5630 1.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1745 -0.5306 1.2975 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4494 -0.0587 2.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7278 1.0037 2.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4609 2.0128 1.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0543 1.9401 0.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4120 1.8166 -0.8688 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9260 1.7322 -0.9044 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4438 2.8636 -1.7031 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7764 2.8829 -2.8036 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3107 1.7595 -3.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5796 0.3966 -3.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6459 -0.4884 -2.9598 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2136 -0.2217 -2.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5843 -0.4576 -1.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1117 -0.1719 -1.6841 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3241 -0.3403 -0.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4501 -1.7370 0.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6171 -1.8533 1.3631 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8608 -2.6021 2.3253 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4780 -1.0574 1.4165 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4343 -1.0290 2.4757 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5478 -0.0729 2.1157 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5962 -0.0701 3.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0703 -1.3410 3.4452 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1108 -0.5603 0.8987 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1813 0.2951 -0.2155 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7442 1.4741 -0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7113 -0.0924 -1.5269 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8727 -0.9943 -1.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1532 -0.4572 -0.8924 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1675 0.0454 0.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3271 0.6327 1.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5836 -0.0291 1.3529 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6085 -0.2979 0.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4298 -1.0751 -0.8408 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8384 -1.2042 -1.5176 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6881 -1.9067 -0.5636 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7917 -1.4721 -0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3369 -0.1407 -0.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7155 -0.2898 -0.9994 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2674 1.0629 -1.3299 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4322 1.9488 -0.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3763 1.3435 0.8903 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7550 1.1171 0.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3574 -1.8566 2.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7380 -1.7517 2.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1105 -3.0309 1.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3408 -0.0499 0.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4706 -1.4657 -0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1666 -2.0957 0.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3220 -0.4194 -0.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0339 0.4115 1.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8013 -1.2913 2.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9286 -1.6858 1.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9344 -0.2227 0.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5443 -0.7279 3.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2419 1.1676 3.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9395 2.9915 2.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3841 2.3277 1.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1587 2.0258 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9787 1.7737 -1.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4688 1.7472 0.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6844 0.7340 -1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7021 3.8792 -1.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5298 3.9173 -3.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7380 1.8964 -4.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2049 1.9522 -3.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 -0.0348 -3.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9306 -1.5400 -2.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7351 -1.0544 -3.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8398 0.6880 -3.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7194 -1.4857 -1.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0875 0.2257 -0.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6609 -0.8091 -2.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0237 0.8809 -2.0269 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2487 -0.2009 -0.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6215 0.3957 0.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0755 -2.4297 -0.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4915 -1.9981 0.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8118 -2.0158 2.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1065 -0.6333 3.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2031 0.9399 1.9604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4434 0.5742 2.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1946 0.4356 4.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4783 -1.8316 4.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9264 0.8365 -2.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9002 -0.6146 -2.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0733 -1.5029 -2.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5857 -1.8653 -0.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5980 0.2438 -1.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8206 -1.4125 -0.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7924 -0.8078 1.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3464 0.8604 0.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5144 1.6469 0.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9230 1.0875 2.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3852 -1.0465 1.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0816 0.5571 2.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1068 0.6970 0.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5124 -0.7436 0.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8132 -0.5453 -1.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0752 -2.1009 -0.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6299 -1.8412 -2.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1189 -0.2113 -1.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3520 -2.9115 -0.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3290 -2.1301 0.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6870 0.5214 -0.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5361 0.3618 0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6856 -0.8749 -1.9214 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3577 -0.8282 -0.2754 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4969 1.5667 -1.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1704 1.0102 -1.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9120 2.8836 -0.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4737 2.1336 0.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0005 0.3815 1.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4658 2.0691 1.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3083 2.0628 0.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7431 0.6847 -0.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2688 0.3427 0.9596 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 2 0 16 17 1 0 17 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 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 1 0 45 46 1 0 46 47 1 0 47 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 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 18 77 1 0 19 78 1 0 19 79 1 0 20 80 1 0 20 81 1 0 21 82 1 0 21 83 1 0 25 84 1 0 25 85 1 0 26 86 1 6 27 87 1 0 27 88 1 0 28 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 48122 1 0 M END