HMDB0294363 RDKit 3D CDP-DG(i-22:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5)) 166167 0 0 0 0 0 0 0 0999 V2000 7.6205 3.0814 1.8366 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7504 3.7965 2.8636 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7572 3.0132 4.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7136 2.4895 4.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3706 2.6053 4.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5702 1.5094 3.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9046 0.2790 3.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1820 -0.3929 3.9017 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6112 -1.0219 2.6264 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8015 -2.2984 2.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6321 -3.2437 3.5733 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6386 -4.2778 3.5858 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7217 -4.5074 2.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5018 -3.7468 1.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4945 -4.0924 0.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2731 -3.3048 -0.5599 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0446 -4.0840 -1.6823 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0237 -2.4395 -0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7471 -1.5981 -1.5269 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4949 -0.7550 -1.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7159 0.0933 -2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0452 1.0811 -2.6526 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6714 -0.1433 -3.4705 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8234 0.6550 -4.6167 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2120 1.0732 -4.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8698 1.8713 -3.9308 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4071 3.0743 -3.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2889 3.5033 -3.8306 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2463 3.8895 -2.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4207 5.0177 -1.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3154 4.5987 -1.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7099 4.1546 0.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6191 3.0525 0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2466 1.6817 0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3494 0.6796 0.4126 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9235 -0.7094 0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0033 -1.7519 0.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5124 -3.1228 -0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4218 -3.6764 0.7711 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6692 -4.0471 2.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1461 -3.1502 3.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3358 -1.9634 3.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0749 -1.1979 4.6883 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2453 -0.0051 5.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8875 0.8314 6.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9767 2.0064 6.4052 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5529 2.9017 7.4862 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5883 4.0425 7.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8511 3.4949 6.9517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4457 -0.2492 -5.8312 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 -1.2976 -5.7763 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0905 -2.4188 -7.0081 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.1993 -2.2586 -8.0174 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5969 -2.2196 -7.7447 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1557 -3.9579 -6.2771 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6601 -4.2975 -5.5341 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.2083 -5.7026 -5.9061 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8836 -4.3075 -3.8493 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4889 -3.1501 -6.0043 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7365 -3.7578 -5.9812 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.8624 -6.3781 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0090 -1.7370 -5.5745 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3316 -1.3119 -5.8569 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6761 -0.2295 -4.9792 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7053 0.6879 -4.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9624 1.7521 -3.8291 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2412 1.8595 -3.3188 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5886 2.9461 -2.4396 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1538 0.9368 -3.6566 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9057 -0.1088 -4.4761 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8457 -0.9393 -4.7399 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1059 -2.5684 -5.6983 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2131 -2.6479 -6.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1589 -3.6431 -6.1883 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5501 -4.2165 -7.3876 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0933 2.2156 1.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5247 2.6846 2.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9672 3.7869 1.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8248 4.1586 2.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3491 4.7447 3.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7287 2.8415 4.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8247 1.9308 5.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 3.1177 4.9915 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3476 3.4685 3.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5200 1.7574 3.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 -0.4218 3.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8898 -1.2276 4.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9630 0.1451 4.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7646 -0.3515 1.7655 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1704 -2.6857 1.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6720 -3.8556 3.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7590 -2.7693 4.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6953 -4.9751 4.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0189 -5.3670 2.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0103 -2.8803 1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8865 -4.9330 0.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1216 -2.6321 -0.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3651 -5.0196 -1.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1675 -3.1415 -0.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1321 -1.8804 0.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6098 -0.9662 -1.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5378 -2.2601 -2.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3390 -0.1208 -0.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3409 -1.4479 -1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0909 1.5122 -4.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3220 1.5000 -5.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8276 0.1059 -4.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7479 3.2677 -1.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0459 4.3408 -3.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1101 5.7379 -1.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0219 5.5579 -2.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6713 5.5274 -0.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6019 3.8950 -1.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7954 4.0310 0.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1823 5.0873 0.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5930 2.9482 1.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7134 3.2860 0.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0805 1.6555 -0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3246 1.3582 0.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6098 0.6929 1.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2456 1.0215 -0.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9507 -0.9588 0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7694 -0.6939 -1.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4903 -1.6978 1.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8209 -1.5381 -0.4955 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2154 -3.0798 -1.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4216 -3.7809 -0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4916 -3.0432 0.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0771 -4.6243 0.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2806 -5.0253 2.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6551 -4.4628 2.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2226 -2.8549 3.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1476 -3.7988 4.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2215 -1.2898 2.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3174 -2.2264 3.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0914 -1.9042 5.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0847 -0.9244 4.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1563 0.6351 4.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2668 -0.3347 5.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9687 0.2601 7.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9020 1.1456 5.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9666 1.6454 6.6754 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8609 2.6297 5.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7481 2.3362 8.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1176 5.0223 7.6465 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8198 4.0697 6.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0467 3.9585 8.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9789 4.5179 7.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7155 2.8393 7.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6961 3.6250 5.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6308 0.3177 -6.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3903 -0.5226 -5.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7341 -2.0907 -8.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8262 -4.2484 -3.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9374 -4.2304 -4.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7089 -4.6009 -6.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7623 -2.5463 -7.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3821 -0.9508 -6.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7011 0.6125 -5.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2357 2.5008 -3.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4981 3.4114 -2.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9636 3.2746 -1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3847 -2.7599 -4.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6773 -3.4958 -6.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0559 -4.4020 -5.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3551 -3.5746 -8.1116 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 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 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 47 49 1 0 24 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 2 0 56 58 1 0 56 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 2 0 66 67 1 0 67 68 1 0 67 69 2 0 69 70 1 0 70 71 2 0 63 72 1 0 72 73 1 0 72 74 1 0 74 75 1 0 74 61 1 0 70 64 1 0 1 76 1 0 1 77 1 0 1 78 1 0 2 79 1 0 2 80 1 0 3 81 1 0 4 82 1 0 5 83 1 0 5 84 1 0 6 85 1 0 7 86 1 0 8 87 1 0 8 88 1 0 9 89 1 0 10 90 1 0 11 91 1 0 11 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 0 18 99 1 0 18100 1 0 19101 1 0 19102 1 0 20103 1 0 20104 1 0 24105 1 1 25106 1 0 25107 1 0 29108 1 0 29109 1 0 30110 1 0 30111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 1 0 33117 1 0 34118 1 0 34119 1 0 35120 1 0 35121 1 0 36122 1 0 36123 1 0 37124 1 0 37125 1 0 38126 1 0 38127 1 0 39128 1 0 39129 1 0 40130 1 0 40131 1 0 41132 1 0 41133 1 0 42134 1 0 42135 1 0 43136 1 0 43137 1 0 44138 1 0 44139 1 0 45140 1 0 45141 1 0 46142 1 0 46143 1 0 47144 1 0 48145 1 0 48146 1 0 48147 1 0 49148 1 0 49149 1 0 49150 1 0 50151 1 0 50152 1 0 54153 1 0 58154 1 0 60155 1 0 60156 1 0 61157 1 6 63158 1 6 65159 1 0 66160 1 0 68161 1 0 68162 1 0 72163 1 1 73164 1 0 74165 1 1 75166 1 0 M END