HMDB0297104 RDKit 3D DG(20:4(5E,8Z,12Z,14Z)-OH(11R)/8:0/0:0) 89 88 0 0 0 0 0 0 0 0999 V2000 11.2283 2.6969 0.9973 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0606 1.7150 1.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0132 1.3080 2.6468 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9240 0.4323 3.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7239 -0.9154 2.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4345 -1.1243 1.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2938 -1.6794 0.7095 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2314 -2.1289 1.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1555 -2.6673 1.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8902 -2.8765 -0.3864 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3055 -4.1657 -0.5762 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7918 -1.9110 -0.8399 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1410 -0.4999 -0.6576 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2323 0.4039 -1.6248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 0.0625 -3.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8595 0.8081 -3.6557 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1245 1.7073 -3.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0424 2.3503 -3.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3295 2.1165 -3.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6101 0.6428 -3.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9604 0.4363 -2.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6826 1.4285 -2.3059 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4390 -0.8117 -2.2427 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6906 -1.1244 -1.6999 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9325 -0.4698 -0.3664 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8767 -0.7796 0.6557 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1396 -0.0326 1.8185 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1935 -0.8264 0.1667 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2303 0.0406 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1128 1.2406 0.0507 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5568 -0.4180 0.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4718 -0.7877 -0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8111 -1.2837 0.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7929 -0.4113 0.7681 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5661 0.2193 2.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9047 0.9739 2.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7083 1.6214 3.7647 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9273 3.3246 0.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3768 3.3263 1.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1319 2.1182 0.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2971 0.8817 0.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1264 2.1770 0.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0166 0.8743 2.9873 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0018 2.2812 3.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0273 0.2840 4.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9628 1.0522 3.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0208 -1.4644 3.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7154 -1.4829 2.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1197 -0.8772 0.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2026 -1.7769 -0.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2989 -2.0296 2.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3838 -2.9871 1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7440 -2.8709 -1.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0305 -4.8305 -0.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3824 -2.2092 -1.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9531 -2.1231 -0.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3423 -0.1832 0.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4967 1.4112 -1.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9144 -1.0058 -3.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8936 0.3986 -3.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6345 0.5816 -4.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3061 1.9596 -2.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0108 1.9932 -4.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1632 3.4615 -3.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0543 2.6278 -3.8867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 2.6219 -2.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5097 0.1368 -4.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1293 0.1382 -2.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7297 -2.2385 -1.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4498 -0.8671 -2.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9899 0.6225 -0.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8685 -0.5846 0.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9469 -1.8514 0.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8138 0.9083 1.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3151 -1.3544 1.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8826 0.3233 1.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9126 -1.5531 -0.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5514 0.0879 -0.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2792 -1.7993 -0.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6941 -2.2010 0.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0984 0.4029 0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7887 -0.9817 0.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2867 -0.4536 2.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8098 1.0533 2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0134 1.6835 1.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6957 0.1994 2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1465 1.0174 4.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1556 2.5842 3.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6913 1.9027 4.2122 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 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 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 2 0 29 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 1 38 1 0 1 39 1 0 1 40 1 0 2 41 1 0 2 42 1 0 3 43 1 0 3 44 1 0 4 45 1 0 4 46 1 0 5 47 1 0 5 48 1 0 6 49 1 0 7 50 1 0 8 51 1 0 9 52 1 0 10 53 1 6 11 54 1 0 12 55 1 0 12 56 1 0 13 57 1 0 14 58 1 0 15 59 1 0 15 60 1 0 16 61 1 0 17 62 1 0 18 63 1 0 18 64 1 0 19 65 1 0 19 66 1 0 20 67 1 0 20 68 1 0 24 69 1 0 24 70 1 0 25 71 1 6 26 72 1 0 26 73 1 0 27 74 1 0 31 75 1 0 31 76 1 0 32 77 1 0 32 78 1 0 33 79 1 0 33 80 1 0 34 81 1 0 34 82 1 0 35 83 1 0 35 84 1 0 36 85 1 0 36 86 1 0 37 87 1 0 37 88 1 0 37 89 1 0 M END