HMDB0296779 RDKit 3D DG(22:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/0:0) 129128 0 0 0 0 0 0 0 0999 V2000 -17.6007 -0.1243 -1.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0637 -1.0869 -0.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1741 -2.4275 -1.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5238 -3.5113 -1.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5182 -3.5033 0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2150 -3.8950 -0.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1552 -3.1509 -0.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2164 -1.7781 0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2876 -1.6740 1.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2919 -0.8304 1.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9943 0.1561 0.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1268 1.5263 0.9407 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1514 2.3861 0.9324 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8461 2.0449 0.4144 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9204 2.9983 0.4598 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5650 2.8178 -0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6563 3.6302 0.6726 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0726 1.4223 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0648 0.8301 1.4467 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4958 -0.5960 1.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0801 -0.5187 0.9183 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5337 -1.6155 0.5589 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3162 0.5892 0.8433 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9996 0.7194 0.4354 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9868 1.6520 -0.7803 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7395 1.1461 -1.8266 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1054 1.3523 1.4629 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7857 1.5366 1.1743 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1906 0.6158 0.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -0.5633 0.8054 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6016 1.0076 0.5737 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3805 -0.2191 0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8669 0.1226 -0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0215 1.0720 -1.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3363 1.4387 -1.6215 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3434 2.0069 -0.6962 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9097 1.0550 0.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8886 1.8073 1.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0005 2.4767 0.4745 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9108 1.5634 -0.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9575 2.4576 -0.9558 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9651 1.8061 -1.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8171 0.7574 -1.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6022 1.2509 -0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4923 0.1740 0.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5118 -0.3048 -0.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3987 -1.3631 0.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6199 -2.5774 0.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9065 -3.1799 -0.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1173 -4.4173 -0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0032 -5.5105 0.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9778 -0.6233 -2.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9861 0.7124 -1.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4715 0.3407 -2.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5291 -0.9812 0.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.1293 -0.7684 -0.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.9059 -2.5092 -2.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7232 -4.4340 -1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8747 -4.3677 0.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6449 -2.6174 0.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1299 -4.9002 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1693 -3.4669 -0.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2302 -1.4446 0.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9042 -1.1130 -0.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4545 -2.3824 2.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6630 -0.8424 2.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5365 -0.0196 -0.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9135 -0.0643 0.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1060 1.8239 1.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3032 3.4020 1.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5451 1.1047 -0.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1633 3.9913 0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4477 3.1415 -1.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7794 4.5801 0.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0591 1.4008 -0.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6804 0.7549 -0.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4310 1.4681 2.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0930 0.7198 1.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5401 -1.0053 2.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1109 -1.2369 0.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4998 -0.2114 0.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9653 1.7968 -1.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3714 2.6459 -0.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2620 1.8842 -2.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2924 0.8818 2.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5402 2.3926 1.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0789 1.4938 1.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5959 1.7883 -0.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3003 -0.9522 1.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9558 -0.6786 -0.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4337 -0.8062 -0.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1069 0.6405 0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4666 2.0243 -0.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4396 0.6510 -2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8270 0.5946 -2.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2489 2.2313 -2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8528 2.8348 -0.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1416 2.5805 -1.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1748 0.6191 0.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5325 0.2505 -0.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3309 2.5534 1.7562 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2783 1.0682 1.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6400 3.3239 -0.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6172 2.9994 1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3348 0.8188 0.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2785 1.0821 -1.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3859 3.1841 -1.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3978 3.0861 -0.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4655 1.3347 -2.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5839 2.6263 -2.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4871 0.3618 -1.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1589 -0.0802 -0.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9289 1.6209 0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2715 2.0921 -0.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9957 0.5037 1.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8354 -0.6833 0.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2026 0.5597 -0.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0985 -0.6895 -1.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9489 -0.9795 1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1740 -1.7020 -0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9347 -2.2941 1.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3425 -3.3463 0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1916 -2.4674 -1.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6457 -3.4595 -1.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3175 -4.2538 0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6587 -4.7754 -1.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4309 -6.4638 0.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2058 -5.4005 1.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 -5.5177 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 15 16 1 0 16 17 1 0 16 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 24 27 1 0 27 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 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 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 13 70 1 0 14 71 1 0 15 72 1 0 16 73 1 0 17 74 1 0 18 75 1 0 18 76 1 0 19 77 1 0 19 78 1 0 20 79 1 0 20 80 1 0 24 81 1 6 25 82 1 0 25 83 1 0 26 84 1 0 27 85 1 0 27 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 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 51129 1 0 M END