HMDB0294158 RDKit 3D CDP-DG(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/i-20:0) 165166 0 0 0 0 0 0 0 0999 V2000 -5.7904 3.6803 -4.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0942 3.1388 -5.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6162 1.7746 -5.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3629 1.4150 -5.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2275 2.3008 -5.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2579 2.2293 -4.4539 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8396 0.8946 -4.3178 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0325 3.0173 -4.6768 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0607 2.7416 -3.9933 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2846 3.4675 -4.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3521 3.1940 -3.4926 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4475 2.1052 -2.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8105 2.6968 -1.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8972 2.3322 -0.5251 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8288 1.3397 -1.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8927 1.0357 -0.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9206 0.0144 -0.7127 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9030 0.6911 -1.4403 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4395 -0.5653 0.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9989 -1.7486 0.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1646 -2.5965 -0.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4271 -3.9437 -0.4144 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9931 -3.5863 -0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0814 -4.7195 -0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5461 -5.8801 0.0545 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7035 -4.5916 -0.0092 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8021 -5.6635 0.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4242 -5.0549 0.1201 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2822 -4.0896 1.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4021 -4.7672 2.4789 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1935 -3.6626 3.7107 P 0 0 0 0 0 5 0 0 0 0 0 0 0.8298 -3.8483 4.3577 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2299 -2.1014 3.0768 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3823 -3.7262 4.9063 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9420 -2.5257 6.0488 P 0 0 0 0 0 5 0 0 0 0 0 0 4.1970 -1.8524 6.5505 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1283 -3.2398 7.3445 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0078 -1.3646 5.2614 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2525 -0.0890 5.7031 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4022 0.9450 4.9811 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6555 0.9208 3.6238 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4475 0.9910 2.9430 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5204 0.4259 1.6248 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5518 -0.0716 0.9827 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4697 -0.6129 -0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7665 -0.6501 -0.9455 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8622 -1.1994 -2.2414 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8049 -0.1449 -0.2713 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6882 0.3777 0.9763 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7814 0.8172 1.4751 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6028 0.4131 3.8258 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8198 1.0113 3.5692 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 0.7501 5.1994 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7192 1.9269 5.6214 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3826 -5.9965 0.2817 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3582 -6.0700 -0.6861 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4691 -5.2551 -1.6352 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7396 -7.0283 -0.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 -6.7160 -1.5583 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 -5.3456 -1.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5436 -5.0712 -2.2879 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2045 -3.7378 -2.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7472 -3.6309 -0.7297 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5016 -2.3346 -0.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9441 -2.3274 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7353 -1.1575 1.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0023 0.1579 1.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8665 1.3082 1.6785 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2543 2.6429 1.4615 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0277 2.9453 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4552 4.3133 -0.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1256 4.5512 0.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6491 5.9780 0.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5142 6.3254 -1.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5241 5.4204 -1.9317 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0151 7.7665 -1.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8708 3.3971 -4.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6797 4.7652 -4.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3771 3.1736 -3.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3740 3.8710 -5.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8716 3.0741 -6.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3915 1.0024 -5.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1837 0.3266 -5.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5719 3.3287 -5.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7036 2.0234 -6.5723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7729 2.6200 -3.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4786 0.3525 -3.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0316 3.8122 -5.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 1.9294 -3.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2937 4.2848 -4.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2438 3.8069 -3.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5064 1.5774 -2.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2267 1.4217 -2.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1752 3.4494 -0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1011 2.8262 0.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 0.8247 -1.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0361 1.5617 0.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3499 -0.6998 -1.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8882 0.4596 -2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3498 0.0253 1.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3529 -2.1036 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2428 -2.8364 -0.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7833 -2.1255 -1.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8458 -4.4688 0.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5913 -4.5094 -1.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8864 -2.9321 0.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7155 -2.9684 -1.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9734 -6.3932 -0.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9812 -6.2188 1.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3127 -4.4984 -0.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9703 -3.2284 1.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2432 -3.6546 1.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 -1.7487 2.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4930 -2.8502 8.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3151 0.1599 5.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1236 -0.0407 6.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6853 1.9434 5.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2417 2.0853 2.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5467 -0.0725 1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -1.0140 -0.8109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0697 -1.7117 -2.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7356 -1.0832 -2.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 -0.6887 3.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7087 1.7761 2.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3348 -0.0280 5.9171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4892 1.7283 6.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 -8.0958 -0.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2215 -7.0256 0.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6415 -7.4499 -1.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4402 -6.7278 -2.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 -4.5493 -1.4259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8045 -5.2678 -0.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0778 -5.0696 -3.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2567 -5.8996 -2.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5139 -2.8899 -2.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0521 -3.5975 -2.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8890 -3.6217 0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4002 -4.4700 -0.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9048 -1.4371 -0.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4179 -2.2515 -1.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0120 -2.4031 1.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5237 -3.2874 1.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8764 -1.2076 2.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7593 -1.1238 0.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7734 0.2617 0.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0473 0.1156 1.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9745 1.1144 2.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8993 1.2225 1.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9210 3.4387 1.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2804 2.7173 2.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4379 2.1679 -0.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0325 2.9317 -0.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3652 4.4848 -1.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1621 5.0799 0.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3875 3.9095 -0.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0816 4.2774 1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3506 6.6579 0.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6340 6.0626 0.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5130 6.2953 -1.7652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8091 5.9898 -2.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 4.8654 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9976 4.6483 -2.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8588 8.4300 -1.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6684 8.0389 -2.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2286 7.8784 -0.5594 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 1 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 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 35 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 2 0 45 46 1 0 46 47 1 0 46 48 2 0 48 49 1 0 49 50 2 0 42 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 28 55 1 0 55 56 1 0 56 57 2 0 56 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 73 74 1 0 74 75 1 0 74 76 1 0 53 40 1 0 49 43 1 0 1 77 1 0 1 78 1 0 1 79 1 0 2 80 1 0 2 81 1 0 3 82 1 0 4 83 1 0 5 84 1 0 5 85 1 0 6 86 1 1 7 87 1 0 8 88 1 0 9 89 1 0 10 90 1 0 11 91 1 0 12 92 1 0 12 93 1 0 13 94 1 0 14 95 1 0 15 96 1 0 16 97 1 0 17 98 1 6 18 99 1 0 19100 1 0 20101 1 0 21102 1 0 21103 1 0 22104 1 0 22105 1 0 23106 1 0 23107 1 0 27108 1 0 27109 1 0 28110 1 6 29111 1 0 29112 1 0 33113 1 0 37114 1 0 39115 1 0 39116 1 0 40117 1 1 42118 1 6 44119 1 0 45120 1 0 47121 1 0 47122 1 0 51123 1 1 52124 1 0 53125 1 1 54126 1 0 58127 1 0 58128 1 0 59129 1 0 59130 1 0 60131 1 0 60132 1 0 61133 1 0 61134 1 0 62135 1 0 62136 1 0 63137 1 0 63138 1 0 64139 1 0 64140 1 0 65141 1 0 65142 1 0 66143 1 0 66144 1 0 67145 1 0 67146 1 0 68147 1 0 68148 1 0 69149 1 0 69150 1 0 70151 1 0 70152 1 0 71153 1 0 71154 1 0 72155 1 0 72156 1 0 73157 1 0 73158 1 0 74159 1 0 75160 1 0 75161 1 0 75162 1 0 76163 1 0 76164 1 0 76165 1 0 M END