HMDB0288338 RDKit 3D PC(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(12Z)-O(9S,10R)) 141141 0 0 0 0 0 0 0 0999 V2000 0.3776 -2.2025 -8.8818 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0719 -3.0579 -7.6613 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -2.9032 -6.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9636 -3.7048 -5.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3662 -3.2381 -4.7759 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6551 -3.9462 -3.5546 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7961 -3.3964 -2.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6599 -1.9166 -2.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 -1.4577 -1.7161 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1935 -0.8756 -0.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0668 -0.5843 0.3614 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0761 0.8916 0.4764 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3177 1.5046 1.5922 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5993 0.7719 2.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9822 1.1093 3.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2307 1.6459 4.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2693 2.0070 5.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3650 3.3973 5.9107 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4135 4.2707 5.8028 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1318 4.0103 5.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3349 5.0324 4.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4232 5.5756 3.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9679 6.7545 3.3844 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6760 5.0745 1.8830 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 5.8919 0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6812 5.2583 -0.3481 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9984 4.6241 -0.5409 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1951 3.3481 -0.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7493 2.8033 -0.4757 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.5707 4.0033 -0.8861 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7412 1.7432 -1.7999 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.5268 2.1011 0.8412 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8778 1.9814 0.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6178 1.3472 1.7994 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2535 0.0193 2.1400 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.5171 -0.0784 3.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4926 -0.7505 2.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5289 -0.7279 1.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5639 4.6821 -0.9085 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1554 5.1570 -1.9656 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1296 6.2036 -2.5827 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3778 4.3817 -2.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6236 5.0644 -1.9395 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8755 4.3018 -2.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2274 3.9992 -3.6077 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5314 3.1832 -3.6342 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3103 1.9061 -2.9554 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5181 0.9646 -2.8547 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0214 -0.3085 -2.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5081 0.1154 -0.8712 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7230 -0.7186 -0.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4158 -2.0041 -0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6062 -3.2307 -0.9256 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3837 -4.2127 -0.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1885 -4.1891 0.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7371 -5.3081 1.6252 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5807 -5.2780 2.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1454 -6.3394 3.8604 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2459 -7.6955 3.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2877 -1.3108 -8.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2707 -2.7893 -9.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4079 -1.8094 -8.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9103 -2.7222 -7.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 -4.1242 -7.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1473 -3.1578 -7.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2647 -1.8186 -6.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7934 -3.5533 -4.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9410 -4.7747 -5.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1240 -3.6550 -5.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4916 -2.1791 -4.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7682 -5.0516 -3.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0161 -3.9813 -1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -1.6561 -1.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5267 -1.3721 -3.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8179 -1.6601 -2.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2167 -0.5726 -0.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3086 -1.1515 1.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0905 -0.8723 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8605 1.4699 -0.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3271 2.5934 1.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4232 -0.2907 2.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9034 1.1987 3.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8264 0.9003 2.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3196 1.8450 4.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2510 1.6317 5.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6424 1.3808 6.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3426 3.7061 6.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5602 5.3008 6.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6279 4.0459 6.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0373 3.0056 4.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8252 5.9146 4.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3106 4.5966 3.7385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8465 6.8574 0.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3803 6.1543 1.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8016 6.2388 -1.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3793 4.7227 -1.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7527 5.2609 0.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0873 1.3505 -0.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3711 2.9688 0.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7304 1.3833 1.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4702 1.9643 2.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3536 0.9681 3.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5452 -0.6116 3.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0812 -0.6012 4.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2101 -1.8213 2.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8401 -0.4902 3.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2178 -0.5785 1.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6810 -0.1627 0.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1754 -1.1460 0.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0473 -1.6315 1.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3145 3.3298 -2.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3645 4.4668 -3.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7260 6.0912 -2.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5321 5.2015 -0.8464 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7121 4.9569 -1.8104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9348 3.4085 -1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3766 4.9198 -4.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4870 3.3748 -4.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8047 3.0252 -4.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3307 3.7556 -3.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4293 1.3339 -3.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0810 2.0892 -1.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7462 0.6469 -3.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3857 1.4018 -2.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3705 -1.0054 -2.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6334 -0.1911 -0.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3517 -1.9444 0.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0368 -1.9595 0.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -3.3945 -1.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4793 -5.1343 -1.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1606 -3.2819 1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2253 -4.4821 0.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6752 -5.1025 1.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8276 -6.2813 1.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6721 -5.4225 2.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5474 -4.3026 3.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0774 -6.0907 4.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7284 -6.2976 4.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0475 -8.5145 3.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2291 -7.8552 2.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4134 -7.8044 2.4488 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 2 0 16 17 1 0 17 18 1 0 18 19 2 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 1 0 34 35 1 0 35 36 1 0 35 37 1 0 35 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 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 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 51 49 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 3 66 1 0 4 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 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 21 91 1 0 21 92 1 0 25 93 1 0 25 94 1 0 26 95 1 6 27 96 1 0 27 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 36102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 38110 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 51126 1 0 52127 1 0 52128 1 0 53129 1 0 54130 1 0 55131 1 0 55132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 58137 1 0 58138 1 0 59139 1 0 59140 1 0 59141 1 0 M CHG 2 31 -1 35 1 M END