HMDB0007409 RDKit 3D DG(20:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) 126125 0 0 0 0 0 0 0 0999 V2000 15.5251 -1.8410 1.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2446 -1.3590 1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2745 -2.4935 1.7753 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9516 -2.2537 2.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1341 -1.1713 1.6856 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9462 -1.5783 0.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2998 -0.8655 -0.7276 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9349 0.4552 -0.6147 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0555 1.4324 -1.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4554 2.4662 -0.7381 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5748 2.7965 0.6643 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4476 2.7983 1.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2189 2.5084 1.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5832 2.0660 0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9712 0.7156 0.4616 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6683 0.5302 0.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7408 1.5739 0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9124 1.5355 -1.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 0.6762 -2.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6046 -0.5671 -2.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7527 -1.7997 -2.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8790 -2.0299 -1.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9783 -2.9650 -1.2419 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9032 -1.3426 -0.0098 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 -1.6125 1.0747 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7216 -2.0579 2.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4659 -3.2369 2.0904 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -0.3886 1.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4526 -0.1715 0.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 0.8316 -0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6916 1.6182 0.8619 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1757 0.9682 -1.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3373 0.0006 -1.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2961 0.3206 -0.2813 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4478 -0.6486 -0.2531 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2729 -0.6965 -1.4792 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9705 0.5804 -1.8631 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9146 0.9409 -0.7158 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6550 2.2140 -1.0607 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5102 2.1576 -2.2467 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7173 1.4036 -2.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4974 0.7135 -1.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3621 0.5059 -0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4761 0.9437 0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8051 0.3246 0.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6405 0.3638 -0.5789 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9806 -0.3389 -0.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7623 0.2965 0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0631 -0.4963 0.9754 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9007 0.1063 2.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3166 -2.7880 0.5328 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8199 -1.0907 0.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2848 -1.9925 1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9220 -0.4375 1.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5355 -1.0671 2.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1213 -2.8855 0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7694 -3.3213 2.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0036 -1.9303 3.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3955 -3.2187 2.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1286 -1.2144 2.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6412 -0.2343 1.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4723 -2.5704 0.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1126 -1.2772 -1.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9023 0.3373 -1.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2028 0.7978 0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8926 1.2667 -2.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8721 3.1169 -1.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9523 3.9238 0.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4587 2.2352 1.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6964 3.1179 2.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5233 2.6019 2.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8763 2.7542 -0.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3044 1.8313 -0.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6407 -0.0956 0.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2970 -0.5034 0.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1866 2.6146 0.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9701 1.5985 0.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1959 2.4455 -1.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0810 0.8851 -2.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4816 -0.6313 -1.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0752 -0.4822 -3.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1958 -1.8390 -3.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4737 -2.6628 -2.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3594 -2.4647 0.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4039 -1.2932 2.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0169 -2.3132 3.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7802 -3.1777 1.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5499 -0.4227 2.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 0.4915 1.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5048 0.8028 -2.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5442 2.0256 -1.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8345 0.0061 -2.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9562 -1.0263 -1.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6042 1.3787 -0.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7255 0.1561 0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0870 -0.4182 0.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0439 -1.6735 -0.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0746 -1.4723 -1.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7204 -1.0900 -2.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5104 0.4298 -2.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2048 1.3688 -1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5383 0.0554 -0.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3476 1.1087 0.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7666 2.9514 -1.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0950 2.7243 -0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7008 3.2635 -2.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7983 1.8553 -3.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1084 1.3943 -3.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3459 0.2167 -2.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3999 0.9278 0.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2316 -0.6112 0.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0833 0.7298 1.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6139 2.0655 0.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7478 -0.7678 1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4654 0.7795 1.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2634 -0.2098 -1.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8611 1.4100 -0.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7269 -1.3804 0.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6096 -0.3233 -1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3197 0.3414 1.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0297 1.3474 0.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6135 -0.5240 0.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8305 -1.5381 1.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.9454 -0.2717 2.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4294 -0.1859 3.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8617 1.2038 1.9496 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 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 25 28 1 0 28 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 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 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 17 77 1 0 18 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 6 26 85 1 0 26 86 1 0 27 87 1 0 28 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 49122 1 0 49123 1 0 50124 1 0 50125 1 0 50126 1 0 M END