HMDB0300259 RDKit 3D DG(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/i-21:0/0:0) 130129 0 0 0 0 0 0 0 0999 V2000 20.5641 -2.4333 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4328 -2.0085 0.9291 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6184 -0.8884 0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4979 -0.4488 1.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7165 0.6669 0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1276 0.2135 -0.7368 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2882 -0.8521 -0.5102 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3504 1.3135 -1.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0187 1.3360 -1.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2902 2.4128 -2.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9917 2.4297 -2.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1784 1.4027 -1.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8433 1.4496 -1.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9660 0.4600 -0.9875 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6586 0.5216 -1.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7030 -0.4383 -0.4818 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4271 0.0016 0.8333 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3529 -0.3635 -1.2009 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0086 1.0114 -1.1136 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3459 -1.1265 -0.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9892 -1.1253 -1.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3719 0.2176 -1.2337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0107 -0.0017 -1.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5927 -1.1577 -2.1101 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2264 1.0833 -2.1764 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 0.9505 -2.7577 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9591 0.2037 -1.8363 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3442 0.1210 -2.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1774 -0.5079 -1.5753 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0423 0.9529 -0.6326 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7147 0.3301 0.5685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3544 -0.8558 0.6343 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8198 1.1652 1.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6262 0.3332 3.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6599 -0.7350 3.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0258 -0.0740 3.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1377 -1.0776 3.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4384 -0.3548 3.5903 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8047 0.4804 2.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9478 -0.2571 1.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0007 -1.3170 1.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3785 -0.7551 1.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3837 -1.8983 1.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7434 -1.3466 1.7179 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2414 -0.3275 0.7522 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3575 -0.8461 -0.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8629 0.1906 -1.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2195 0.7296 -1.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2291 -0.3868 -1.2707 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6204 0.1124 -0.9323 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6577 0.7520 0.4401 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1687 1.0487 -1.9614 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4903 -2.6775 0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2992 -3.2863 -0.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8221 -1.5883 -0.6896 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8819 -1.6250 1.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8200 -2.8904 1.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2682 -1.2819 -0.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2753 -0.0222 0.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8193 -0.2180 2.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7934 -1.3279 1.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8602 0.8877 1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3062 1.6024 0.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9033 -0.0626 -1.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9090 -1.1601 -1.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8566 2.1356 -1.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5330 0.5149 -0.9552 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8776 3.2371 -2.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4985 3.2523 -2.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5670 0.5407 -0.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4204 2.3057 -2.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4018 -0.3929 -0.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2522 1.4009 -1.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0314 -1.4710 -0.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8005 0.7614 0.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4091 -0.7056 -2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2233 1.4884 -1.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7241 -2.1731 -0.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3037 -0.7048 0.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3156 -1.6971 -0.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 -1.6163 -2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9122 0.8252 -2.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2997 0.8451 -0.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9086 0.3259 -3.6929 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4377 1.9532 -3.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5965 -0.7930 -1.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2405 -0.4575 -3.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7010 1.1312 -2.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6034 -1.3224 -1.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9862 1.9111 1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7848 1.7477 1.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6206 0.9596 3.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6164 -0.1312 2.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4304 -1.2890 4.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6971 -1.4287 2.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0125 0.6586 4.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2063 0.4079 2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9589 -1.6144 4.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1355 -1.8027 2.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3482 0.3484 4.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2697 -1.0476 3.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0396 1.2770 2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7972 0.9409 2.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2216 0.4847 0.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9962 -0.7165 0.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0660 -1.7150 0.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7795 -2.1438 1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6264 -0.0126 0.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4035 -0.2944 2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0689 -2.5718 2.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3012 -2.3805 0.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7632 -0.8748 2.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4610 -2.2088 1.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2513 0.0045 1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5813 0.5625 0.7327 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3101 -1.0932 -0.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0013 -1.7440 -0.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1585 1.0518 -1.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8955 -0.2466 -2.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5414 1.4262 -2.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2397 1.3296 -0.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3041 -0.7950 -2.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9650 -1.2419 -0.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2713 -0.7848 -0.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8318 0.2954 1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5890 0.5592 0.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4266 1.8185 0.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2405 0.7886 -2.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6423 1.0253 -2.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2051 2.0942 -1.5611 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 27 30 1 0 30 31 1 0 31 32 2 0 31 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 49 50 1 0 50 51 1 0 50 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 6 7 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 15 73 1 0 16 74 1 1 17 75 1 0 18 76 1 6 19 77 1 0 20 78 1 0 20 79 1 0 21 80 1 0 21 81 1 0 22 82 1 0 22 83 1 0 26 84 1 0 26 85 1 0 27 86 1 1 28 87 1 0 28 88 1 0 29 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 41107 1 0 42108 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 51125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 52130 1 0 M END