HMDB0291222 RDKit 3D CDP-DG(20:3(8Z,11Z,14Z)-2OH(5,6)/18:1(9Z)) 157158 0 0 0 0 0 0 0 0999 V2000 2.9728 -1.2535 1.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6633 -2.5715 0.8327 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9359 -3.3312 0.7809 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9788 -4.6229 0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1583 -5.7630 0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7133 -5.5063 0.5669 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9227 -5.5822 1.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4517 -5.9559 2.9691 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7306 -7.1875 3.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0625 -7.2425 4.5518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0908 -6.1536 5.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5159 -5.8305 5.7209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 -4.6875 5.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3656 -3.4996 5.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9122 -2.8926 3.8068 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8940 -3.7488 2.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2052 -1.5915 3.6259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2992 -0.9149 4.8732 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8529 -0.6755 2.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0102 0.6014 2.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5287 1.6503 1.6487 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 1.3822 0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2605 2.3031 -0.4332 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1699 0.3358 -0.5386 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4006 0.3487 -1.9688 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6416 1.4022 -2.6911 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3710 1.8911 -3.8968 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2203 1.0840 -5.0062 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0503 1.7612 -6.2997 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.1072 2.6502 -7.0918 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3745 2.6030 -5.7197 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6047 0.6167 -7.4152 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0297 -0.0367 -6.7900 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.7006 -0.4902 -5.3638 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5202 -1.3971 -7.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2701 1.1162 -6.6942 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2968 0.6240 -5.8937 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4418 1.5731 -5.7245 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3874 0.9876 -4.9087 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2613 1.4781 -3.6280 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.1575 0.4050 -2.6413 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9169 -0.8445 -3.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8178 -1.8517 -2.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9657 -1.5708 -0.7458 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8536 -2.6424 0.1848 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2071 -0.3046 -0.3847 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2991 0.6562 -1.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5292 1.8433 -0.9393 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0189 2.3575 -3.5833 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1415 3.4118 -2.6882 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0039 2.8516 -5.0216 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.8981 3.8809 -5.1551 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7106 1.2850 -2.8422 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7689 1.8733 -2.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4756 2.6417 -1.2543 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1602 1.5945 -2.6632 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2451 2.1316 -1.7718 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5822 1.9595 -2.4598 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7102 2.4405 -1.6248 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9694 1.6069 -0.4154 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1165 2.0373 0.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9569 3.2757 1.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5266 4.4646 0.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4032 5.1169 0.9106 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6575 4.6269 2.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2663 4.1204 1.8305 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7653 3.5455 3.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7181 4.5969 4.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3400 4.1588 5.5729 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0644 3.5268 5.8739 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6846 2.2216 5.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6732 1.1124 5.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9915 -0.9354 1.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9357 -1.4001 2.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2575 -0.5023 1.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8764 -3.0309 1.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3416 -2.2508 -0.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6847 -2.6534 0.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3614 -3.3784 1.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8322 -4.4314 -1.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0578 -4.9783 0.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5991 -6.1597 1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3398 -6.5983 -0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1913 -5.2204 -0.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1578 -5.3699 1.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2202 -5.1230 3.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4991 -6.1849 2.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7471 -8.0910 2.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4533 -8.1979 4.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -6.6634 6.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5926 -5.3204 5.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1635 -6.6726 6.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1843 -4.5481 5.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5945 -2.7070 5.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2832 -3.5661 5.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0160 -2.6366 3.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8679 -3.3531 1.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1604 -1.7417 3.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 -0.4210 5.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8494 -0.4134 2.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9752 -1.1291 1.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0228 1.0313 3.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0721 0.3733 2.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0543 2.6580 1.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6040 1.8449 2.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1943 -0.6896 -2.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4793 0.5182 -2.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7257 2.3026 -1.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0599 2.9386 -4.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4508 1.9597 -3.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8539 2.0324 -5.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8321 -1.6061 -8.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9798 0.2665 -4.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7204 -0.2755 -6.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8636 1.8565 -6.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1202 2.1354 -3.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8041 -1.0416 -4.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6225 -2.8593 -2.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0965 -3.6231 -0.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4998 -2.4162 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1623 1.6888 -3.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4865 3.3719 -1.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0149 3.1912 -5.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1908 4.2488 -4.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2594 0.4902 -2.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3127 1.9888 -3.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0762 3.2472 -1.6951 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2407 1.7462 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7169 0.8811 -2.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6020 2.5614 -3.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5044 3.5231 -1.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6741 2.4792 -2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0516 1.6810 0.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1252 0.5527 -0.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0246 2.1775 -0.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3592 1.1840 1.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2348 3.0171 2.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9241 3.4814 1.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0934 4.8654 -0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1028 5.9911 0.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1614 4.1256 2.8715 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4123 5.6746 2.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2238 3.2607 1.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5831 4.8905 1.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7852 3.0609 2.9774 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4465 2.7016 3.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0065 5.4206 3.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7378 5.1105 4.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2339 3.5188 5.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4298 5.1063 6.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8734 3.5478 7.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2452 4.2574 5.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7389 1.9133 5.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3002 2.2646 4.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0101 0.6976 4.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2011 0.2704 6.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5160 1.4734 6.2339 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 1 0 15 17 1 0 17 18 1 0 17 19 1 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 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 33 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 2 0 43 44 1 0 44 45 1 0 44 46 2 0 46 47 1 0 47 48 2 0 40 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 26 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 56 57 1 0 57 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 2 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 51 38 1 0 47 41 1 0 1 73 1 0 1 74 1 0 1 75 1 0 2 76 1 0 2 77 1 0 3 78 1 0 3 79 1 0 4 80 1 0 4 81 1 0 5 82 1 0 5 83 1 0 6 84 1 0 7 85 1 0 8 86 1 0 8 87 1 0 9 88 1 0 10 89 1 0 11 90 1 0 11 91 1 0 12 92 1 0 13 93 1 0 14 94 1 0 14 95 1 0 15 96 1 0 16 97 1 0 17 98 1 0 18 99 1 0 19100 1 0 19101 1 0 20102 1 0 20103 1 0 21104 1 0 21105 1 0 25106 1 0 25107 1 0 26108 1 1 27109 1 0 27110 1 0 31111 1 0 35112 1 0 37113 1 0 37114 1 0 38115 1 6 40116 1 1 42117 1 0 43118 1 0 45119 1 0 45120 1 0 49121 1 1 50122 1 0 51123 1 6 52124 1 0 56125 1 0 56126 1 0 57127 1 0 57128 1 0 58129 1 0 58130 1 0 59131 1 0 59132 1 0 60133 1 0 60134 1 0 61135 1 0 61136 1 0 62137 1 0 62138 1 0 63139 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 72157 1 0 M END