HMDB0300077 RDKit 3D DG(18:2(9Z,11E)+=O(13)/0:0/i-20:0) 121120 0 0 0 0 0 0 0 0999 V2000 16.2599 -1.7524 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2425 -1.1060 -0.9774 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9950 -1.8577 -1.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0519 -2.1302 -0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3349 -1.0052 0.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1123 -0.0544 1.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2913 -0.2409 1.6595 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4933 1.2368 1.7926 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2160 1.5028 1.4771 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6011 2.7199 1.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3803 3.0262 1.6122 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3896 2.3318 0.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5202 1.0345 0.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1274 0.7350 -0.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2729 -0.5756 -1.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6046 -1.7743 -0.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8220 -2.5419 0.5496 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2088 -1.9086 1.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0435 -1.0702 1.3689 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5322 -0.3637 2.2850 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4782 -1.0049 0.1444 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4096 -0.3194 -0.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 -0.6442 0.1916 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9132 -0.3774 1.5264 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9877 0.0460 -0.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3022 -0.3748 -0.4082 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0549 -0.3056 0.7115 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5981 0.2068 1.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4770 -0.8626 0.7045 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2183 -0.2525 -0.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2874 1.2294 -0.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9548 1.8553 -1.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3189 1.2722 -1.6774 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2611 1.4431 -0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5859 0.8005 -0.7983 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2491 1.4250 -1.9856 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5549 0.8021 -2.3459 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6004 0.8396 -1.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9106 2.2272 -0.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9587 2.4730 0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8901 1.9530 1.4725 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9836 0.5879 1.9732 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2507 -0.1777 1.8099 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6207 -0.6096 0.4569 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6654 -1.6850 -0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0458 -2.0934 -1.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9396 -2.9077 0.8381 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8659 -1.0094 0.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8951 -2.4316 -0.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7432 -2.3807 0.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1748 -0.0261 -0.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7516 -1.1404 -2.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2836 -2.8589 -1.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4393 -1.3526 -2.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5796 -2.7257 0.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2970 -2.9134 -0.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5337 -1.4835 1.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7547 -0.4665 -0.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0960 1.8925 2.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7479 0.7533 0.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2224 3.4568 2.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0394 4.0371 2.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8873 3.0193 0.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 2.2318 1.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1866 1.0175 -0.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6006 0.1615 0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3457 0.9205 0.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1246 1.5133 -1.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0559 -0.3898 -1.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3335 -0.7592 -1.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6675 -1.6468 0.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8651 -2.5614 -1.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4436 -3.4431 0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9911 -3.1440 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9361 -1.2357 2.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8962 -2.6393 2.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6069 0.7764 -0.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3551 -0.5483 -1.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8429 -1.7634 0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0714 0.6003 1.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2193 -0.0546 -1.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0452 1.1710 -0.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9202 -0.5407 1.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4261 -1.9478 0.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6551 -0.5414 -1.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2288 -0.7199 -0.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2757 1.6887 -0.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8467 1.5007 0.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0380 2.9587 -1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3488 1.6517 -2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2781 0.1872 -1.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7408 1.7645 -2.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4420 2.5292 -0.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8305 1.0311 0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2191 0.8965 0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4554 -0.2870 -0.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5959 1.3114 -2.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4041 2.5296 -1.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4019 -0.2289 -2.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9833 1.3966 -3.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4860 0.3316 -1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1534 0.2840 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9767 2.8128 -0.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2489 2.7694 -1.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9525 2.3288 -0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9465 3.6458 0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8902 2.3601 1.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6240 2.5687 2.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8215 0.6765 3.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0888 -0.0377 1.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1705 -1.1090 2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1055 0.3744 2.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6634 -1.0523 0.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6295 0.1617 -0.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6315 -1.4001 0.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2544 -2.6827 -1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9345 -2.7664 -1.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3626 -1.2444 -2.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9993 -2.9001 1.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2410 -2.8264 1.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7167 -3.8038 0.2139 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 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 45 46 1 0 45 47 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 8 59 1 0 9 60 1 0 10 61 1 0 11 62 1 0 12 63 1 0 12 64 1 0 13 65 1 0 13 66 1 0 14 67 1 0 14 68 1 0 15 69 1 0 15 70 1 0 16 71 1 0 16 72 1 0 17 73 1 0 17 74 1 0 18 75 1 0 18 76 1 0 22 77 1 0 22 78 1 0 23 79 1 1 24 80 1 0 25 81 1 0 25 82 1 0 29 83 1 0 29 84 1 0 30 85 1 0 30 86 1 0 31 87 1 0 31 88 1 0 32 89 1 0 32 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 46116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 47121 1 0 M END