HMDB0288266 RDKit 3D PC(22:4(7Z,10Z,13Z,16Z)/18:3(10,12,15)-OH(9)) 141140 0 0 0 0 0 0 0 0999 V2000 1.5434 -4.2532 6.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1688 -3.8395 5.7582 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4752 -4.9337 4.9562 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8526 -4.6728 3.7099 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4942 -5.6616 2.8245 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6994 -5.9134 1.5718 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2588 -5.6512 0.4195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5215 -5.8826 -0.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0466 -5.6289 -1.9901 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 -5.8390 -3.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 -7.2546 -3.6010 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0955 -5.6181 -3.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7117 -4.3388 -2.9582 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3355 -3.0800 -3.6283 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0384 -2.5529 -3.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2098 -2.2516 -1.8906 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5951 -1.7786 -1.5833 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6827 -1.5198 -0.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7538 -0.4485 0.3437 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3082 0.3766 -0.4653 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3404 -0.3340 1.6773 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5379 0.6968 2.0723 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8980 0.0473 2.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3955 -0.6224 1.2599 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6235 -1.2203 1.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -1.1417 2.3431 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2624 -1.9397 0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6416 -0.9727 -0.9785 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3196 -1.7315 -2.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7246 -0.8927 -3.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4989 -0.2707 -3.9457 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9207 0.5390 -5.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7827 1.8060 -5.3364 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1221 2.7866 -4.4851 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6021 2.4179 -3.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 2.4862 -2.8968 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2846 2.9309 -3.8083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3315 1.8073 -3.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9068 1.8683 -3.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5396 3.0791 -3.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0902 2.7720 -1.7345 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7268 3.3815 -0.6579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7388 4.4442 -0.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3166 5.7037 -0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4885 6.2984 -0.6684 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3322 6.7821 -2.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6863 7.3556 -2.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0357 1.3428 3.3158 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2154 1.8812 3.1223 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7682 2.6442 4.5333 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.7987 2.3029 5.6445 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6621 4.3076 4.2738 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.3265 2.2187 4.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2142 2.6575 4.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6489 2.3365 4.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9326 0.9460 4.5065 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.3088 0.7403 4.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0963 0.0567 3.7609 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9517 0.5479 5.9164 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9740 -5.0245 5.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2376 -3.3671 6.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5251 -4.6146 7.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4651 -3.5885 6.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2426 -2.9181 5.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6387 -5.9096 5.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 -3.6765 3.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5453 -6.6529 3.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5412 -5.3770 2.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2924 -6.2984 1.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2512 -5.2662 0.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4821 -6.2739 -0.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0781 -5.2314 -1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 -5.3685 -4.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -7.4046 -4.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5539 -6.4456 -2.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4638 -5.9570 -4.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8438 -4.4450 -3.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6776 -4.1450 -1.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4058 -3.2533 -4.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1109 -2.2914 -3.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8144 -3.1893 -3.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0611 -1.5278 -3.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0275 -3.1094 -1.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4942 -1.4030 -1.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7848 -0.7776 -2.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3929 -2.4568 -1.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7276 -1.1999 0.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4737 -2.4403 0.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7191 1.3980 1.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5837 0.8452 2.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6979 -0.6562 3.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1753 -2.4718 0.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5387 -2.6789 -0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3342 -0.1968 -0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6982 -0.5350 -1.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1583 -2.3650 -1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5643 -2.4686 -2.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4628 -0.1278 -2.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2244 -1.5939 -3.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8275 0.0941 -3.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0217 -1.2315 -4.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4721 -0.0301 -5.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2097 2.2045 -6.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4478 3.4125 -5.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9661 3.5795 -4.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3277 2.0936 -2.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9958 2.1880 -1.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8386 3.8948 -3.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6382 3.1145 -4.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6776 0.8451 -4.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6162 1.0173 -3.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4671 3.2246 -3.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0099 4.0033 -3.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8532 1.9633 -1.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1639 3.1181 0.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0288 4.1096 0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1372 4.6355 -1.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5065 6.4520 0.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6348 5.4281 1.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7802 7.2109 -0.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3725 5.6229 -0.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9946 6.0455 -2.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6329 7.6565 -2.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4687 6.5945 -2.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8995 8.2136 -1.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6025 7.7188 -3.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7514 2.1097 3.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0927 0.5194 4.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9582 2.3718 2.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1544 3.7838 4.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2765 2.7811 3.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9129 2.8413 5.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6972 -0.2002 4.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9541 1.5801 4.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3202 0.6320 2.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6917 -0.8905 3.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9095 0.4599 2.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1830 -0.2745 4.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9641 0.1963 6.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2835 1.4653 6.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7398 -0.2057 6.0616 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 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 22 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 56 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 22 89 1 6 23 90 1 0 23 91 1 0 27 92 1 0 27 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 33103 1 0 34104 1 0 34105 1 0 35106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 57133 1 0 57134 1 0 57135 1 0 58136 1 0 58137 1 0 58138 1 0 59139 1 0 59140 1 0 59141 1 0 M CHG 2 52 -1 56 1 M END