HMDB0288038 RDKit 3D PC(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/22:2(13Z,16Z)) 147146 0 0 0 0 0 0 0 0999 V2000 1.9104 -2.1204 7.5054 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3293 -2.5899 7.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2309 -1.4286 7.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9189 -1.0439 6.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8916 -1.7177 4.8797 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4246 -0.7356 3.8839 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1154 -0.3141 2.8683 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5048 -0.8158 2.6231 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3758 0.3901 2.6973 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1283 0.8285 1.7265 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2157 0.1918 0.4409 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7997 0.8128 -0.7894 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2332 1.9460 -0.9667 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8654 2.8802 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2761 4.0499 -0.2918 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9083 4.9867 0.7731 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0472 5.5079 1.4064 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0911 4.3314 1.8513 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7810 3.7425 1.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0805 3.1222 2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7933 2.4635 2.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3116 1.7892 3.1184 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0971 2.4978 1.0051 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 1.9172 0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1232 0.4353 0.3956 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0422 -0.3989 1.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9482 -0.0706 2.5184 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8759 -0.9437 3.9335 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.5174 -2.3055 3.6592 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7088 -1.2489 4.4392 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.8070 -0.2200 5.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5468 1.1319 5.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3551 1.8327 6.2714 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0558 3.2326 6.2878 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.1324 4.0589 5.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8649 3.6159 7.6913 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8522 3.5817 5.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8535 0.1737 -0.6298 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5389 -0.4417 -1.8315 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6707 -0.7992 -1.9731 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5295 -0.6796 -2.9097 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0031 -1.6164 -3.9661 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9362 -1.7812 -5.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2429 -0.5696 -5.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2173 0.1045 -6.7004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0664 0.5022 -6.1028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9087 1.3253 -7.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2473 1.6606 -6.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0517 0.4419 -6.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3783 0.7631 -5.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1487 -0.5778 -5.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3672 -0.3372 -4.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6878 -0.9551 -3.4853 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8007 -1.9967 -2.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6241 -3.2486 -2.8559 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9246 -3.9562 -1.8083 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4772 -3.6191 -0.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6757 -4.8521 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1365 -4.6507 1.4252 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3549 -5.9017 1.8551 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3083 -7.1058 1.8416 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 -1.0069 7.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6868 -2.4067 8.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 -2.5802 6.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2938 -3.1874 6.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6721 -3.2935 8.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3118 -0.8585 8.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5657 -0.1682 6.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8693 -2.1682 4.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1399 -2.5546 4.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3904 -0.3575 4.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6656 0.4158 2.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5564 -1.3776 1.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8501 -1.4798 3.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3749 0.9500 3.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7625 1.7387 1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3606 -0.0937 0.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7776 -0.8524 0.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0258 0.1749 -1.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0156 2.2107 -2.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0080 2.7137 1.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0853 4.2681 -1.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3239 5.8188 0.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8241 6.3660 1.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8368 5.1026 2.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6928 3.5749 2.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0401 2.9370 0.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1607 4.5423 0.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7247 2.4325 3.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 3.9574 3.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3033 2.3666 -0.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9716 2.2680 1.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1045 0.1219 -0.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0424 -0.5492 1.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -1.4701 1.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8542 1.5632 4.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4928 1.2625 5.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4294 1.7244 6.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0885 1.3331 7.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1248 3.6751 6.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0278 5.1046 6.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1063 4.1196 4.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1432 4.4780 7.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4192 2.7367 8.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8673 3.8875 8.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 4.7094 5.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 3.2164 6.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8926 3.3277 4.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8401 0.3001 -3.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4356 -1.1537 -2.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8833 -2.6093 -3.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0047 -1.3529 -4.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8780 -2.2333 -4.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5773 -2.5662 -5.8463 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8600 0.1813 -5.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0447 -0.8860 -6.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7177 1.0222 -7.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9589 -0.4778 -7.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0827 1.0608 -5.1861 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7421 -0.4246 -6.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3584 2.2775 -7.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9972 0.8412 -8.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8063 2.2542 -7.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 2.2746 -5.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2865 -0.1656 -7.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5633 -0.2764 -5.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0333 1.4179 -6.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1497 1.1619 -4.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4359 -0.8555 -6.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4292 -1.2952 -4.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0612 0.4152 -4.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6106 -0.7373 -2.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6027 -1.6491 -1.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9086 -2.2402 -3.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9928 -3.5706 -3.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5506 -4.8682 -1.9234 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3539 -3.5194 0.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7906 -2.7858 -0.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3104 -5.7536 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8222 -5.0306 -0.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4135 -3.8130 1.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9671 -4.4907 2.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5396 -6.0923 1.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9362 -5.7991 2.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2640 -7.6034 0.8598 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0463 -7.8386 2.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3304 -6.6766 2.0188 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 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 25 38 1 0 38 39 1 0 39 40 2 0 39 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 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 24 91 1 0 24 92 1 0 25 93 1 6 26 94 1 0 26 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 35100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 37108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 52131 1 0 53132 1 0 54133 1 0 54134 1 0 55135 1 0 56136 1 0 57137 1 0 57138 1 0 58139 1 0 58140 1 0 59141 1 0 59142 1 0 60143 1 0 60144 1 0 61145 1 0 61146 1 0 61147 1 0 M CHG 2 30 -1 34 1 M END