HMDB0286276 RDKit 3D PC(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/18:0) 144143 0 0 0 0 0 0 0 0999 V2000 -6.9408 -5.4025 7.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5048 -5.9384 7.5698 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2366 -6.7244 6.3642 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2908 -6.5059 5.4879 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3497 -5.3937 5.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9488 -5.9433 5.7206 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8845 -6.7781 6.8414 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4785 -6.6573 4.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8307 -6.3641 3.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3444 -7.0882 2.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6819 -6.8146 0.9222 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6184 -5.7133 0.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7774 -6.3069 -0.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0974 -5.9298 -1.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3657 -4.9137 -2.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7730 -4.5844 -3.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9683 -3.5222 -4.0041 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1355 -3.4993 -5.3570 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0278 -2.2397 -3.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0943 -1.4666 -3.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1984 -1.8619 -4.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4305 -0.9417 -5.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7038 0.4715 -5.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6499 1.2499 -4.4578 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9891 2.1031 -3.5662 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2862 1.1665 -4.7247 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4219 2.0230 -4.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9509 1.8107 -4.3674 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4660 0.4777 -3.9512 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8983 0.3548 -4.1242 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3620 -1.1967 -3.6301 P 0 0 0 0 0 5 0 0 0 0 0 0 1.2654 -2.2049 -4.7205 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4468 -1.5840 -2.2567 O 0 0 0 0 0 1 0 0 0 0 0 0 2.9883 -1.1539 -3.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2387 -2.4679 -2.6604 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6245 -2.6317 -2.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9039 -1.7822 -1.0068 N 0 0 0 0 0 4 0 0 0 0 0 0 5.2418 -0.4465 -1.4025 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9893 -2.4372 -0.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7718 -1.6924 -0.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2719 2.8076 -3.5674 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 3.8993 -4.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1941 3.9289 -5.4645 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0083 4.9933 -3.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7898 4.6917 -2.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 4.1153 -1.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9803 3.9900 0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1433 3.1462 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1145 2.8419 0.8211 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9089 3.8729 1.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2715 4.9199 2.3343 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3504 5.8504 2.8728 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9767 6.8935 3.8199 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0237 7.9721 3.5052 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6084 7.6516 3.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8788 8.9932 3.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4076 9.8008 1.8968 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3248 9.1420 0.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8686 8.8285 0.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7314 8.1699 -1.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2562 -4.8529 8.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8886 -4.6945 6.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6411 -6.2096 7.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8944 -5.0698 7.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5676 -6.5937 8.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8963 -7.6015 6.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1761 -7.1686 4.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4623 -4.7568 4.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5281 -4.7060 6.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2646 -5.0792 5.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7185 -6.7284 7.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7803 -7.5091 4.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5061 -5.5467 3.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6464 -7.9186 2.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2609 -7.4179 0.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0210 -5.0080 -0.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0140 -5.1587 1.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3447 -7.0856 0.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9581 -6.4128 -1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5128 -4.3691 -1.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6157 -5.0780 -3.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8964 -3.8987 -3.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5526 -4.3162 -5.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -1.8641 -2.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1680 -0.5051 -2.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2096 -2.9348 -4.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1519 -1.7816 -3.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2658 -1.2940 -6.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5363 -0.9315 -6.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5847 0.4477 -4.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1599 1.0421 -5.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4964 1.9129 -2.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7346 3.0611 -4.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8712 2.0637 -5.4368 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9276 -0.3675 -4.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7717 0.3315 -2.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4578 -2.7816 -1.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1282 -3.1283 -3.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7233 -3.7207 -1.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3460 -2.4827 -2.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7574 -0.4552 -2.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3081 0.1781 -1.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9424 0.0492 -0.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9725 -2.1617 0.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9552 -2.1941 -0.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8617 -3.5512 -0.3622 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1335 -1.2413 0.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3675 -2.6788 0.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0276 -1.0067 -0.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3222 5.8724 -3.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7663 5.4208 -4.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3734 5.5918 -2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5788 3.9110 -2.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1398 4.6939 -0.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7757 3.0463 -1.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3601 3.5257 0.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1633 5.0354 0.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7517 3.5541 -1.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7887 2.1430 -0.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8087 2.0036 0.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5874 2.2036 1.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7002 3.3332 2.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5800 4.3748 0.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7491 4.4546 3.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5677 5.4598 1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8785 6.3483 2.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1473 5.1506 3.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9693 7.4495 4.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6970 6.4263 4.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4278 8.5306 2.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0280 8.6999 4.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3711 7.0757 2.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 7.1717 4.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 8.8417 3.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1012 9.5863 3.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4245 10.1969 2.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 10.7136 1.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6547 9.9231 -0.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9725 8.2775 0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2462 9.7435 0.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4608 8.1311 0.9899 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 7.1129 -1.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1146 8.6866 -1.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6358 8.3365 -1.7647 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 1 0 36 37 1 0 37 38 1 0 37 39 1 0 37 40 1 0 28 41 1 0 41 42 1 0 42 43 2 0 42 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 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 1 7 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 6 18 83 1 0 19 84 1 0 20 85 1 0 21 86 1 0 21 87 1 0 22 88 1 0 22 89 1 0 23 90 1 0 23 91 1 0 27 92 1 0 27 93 1 0 28 94 1 6 29 95 1 0 29 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 38101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 40109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 57136 1 0 57137 1 0 58138 1 0 58139 1 0 59140 1 0 59141 1 0 60142 1 0 60143 1 0 60144 1 0 M CHG 2 33 -1 37 1 M END