HMDB0286564 RDKit 3D PC(18:2(9Z,12Z)/20:4(6E,8Z,11Z,14Z)+=O(5)) 135134 0 0 0 0 0 0 0 0999 V2000 1.1699 2.7205 9.3554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0302 2.6668 8.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 3.1613 8.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0122 2.2878 9.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1368 0.8333 9.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6929 0.0796 10.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8066 -0.6000 10.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7060 -0.7076 9.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8588 -2.0995 8.6394 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5536 -2.5409 7.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0130 -1.6777 6.3863 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8943 -1.6881 5.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4834 -2.0260 4.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1353 -2.4201 3.7422 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8110 -2.7489 2.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4686 -3.1552 2.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2074 -3.4512 0.9024 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4155 -3.2158 3.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0358 -3.2843 2.5201 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -3.3544 3.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3719 -3.3282 3.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3196 -3.6671 3.7778 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6141 -2.9411 1.7714 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8004 -2.8408 1.0804 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8884 -3.6242 -0.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8187 -3.2445 -1.0883 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7226 -3.6944 -2.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6492 -4.4702 -2.7886 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6467 -3.3702 -3.3373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1197 -3.6142 -4.7632 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3002 -2.6828 -5.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8433 -1.2457 -4.9019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9411 -0.2665 -5.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3402 1.1342 -4.9692 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4023 2.2184 -5.1933 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8197 3.5572 -5.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7726 4.4991 -5.9443 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3175 4.3415 -7.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3113 5.3807 -7.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5463 5.1703 -7.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1637 3.8678 -7.9462 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3060 3.8184 -6.9135 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0885 2.5592 -6.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2766 1.3443 -6.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7000 1.3641 -5.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0186 -1.3423 0.7855 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0014 -0.8192 0.0251 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2146 0.8136 -0.3113 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.5604 1.0813 -0.9484 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1705 1.6613 1.1653 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.9615 1.3956 -1.2714 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0302 0.4059 -1.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0823 1.0106 -2.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1972 0.1770 -2.6441 N 0 0 0 0 0 4 0 0 0 0 0 0 2.2421 -1.0663 -1.9323 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4233 0.9052 -2.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3017 -0.0454 -4.0876 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1474 3.0127 9.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 3.4556 10.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 1.7078 9.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0349 1.6792 7.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6222 3.4111 7.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2612 4.1678 8.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0630 3.2343 7.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0308 2.6603 9.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 2.2826 10.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1235 0.4362 8.8282 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7340 0.8713 8.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0782 0.1049 11.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1359 -1.1337 11.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4243 -0.0447 8.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7604 -0.4203 9.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2678 -2.8066 9.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7108 -3.6139 7.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8111 -0.6674 6.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9828 -2.0985 6.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9302 -1.3861 5.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2016 -2.0160 3.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3446 -2.4765 4.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5817 -2.7078 1.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4489 -2.2413 3.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5370 -4.0374 3.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 -2.3227 1.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9227 -4.0883 1.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0843 -2.4500 4.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1163 -4.2861 4.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6931 -3.1644 1.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8731 -4.7120 -0.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8241 -3.3920 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1489 -4.1615 -3.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1417 -2.4246 -3.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3214 -3.3585 -5.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4595 -4.6320 -4.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5408 -2.8288 -6.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1898 -2.9185 -4.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9982 -1.0909 -5.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5553 -1.1380 -3.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7258 -0.4430 -4.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3695 -0.2971 -6.1575 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9857 1.1686 -3.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5003 1.2304 -5.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0892 2.0798 -4.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0167 2.0403 -6.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3898 3.7778 -4.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 5.4507 -5.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6255 3.3165 -7.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4402 4.6051 -7.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9309 6.4301 -7.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2311 6.0404 -7.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6924 3.7191 -8.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5713 2.9815 -7.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9353 4.7117 -7.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8154 4.0211 -5.9419 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8740 2.6487 -6.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5837 2.4345 -7.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9573 0.4638 -6.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4757 1.1508 -7.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4675 1.0157 -4.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3753 2.3480 -4.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8300 0.6760 -5.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0262 -1.2565 0.3406 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0544 -0.8058 1.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4716 0.2014 -0.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4445 -0.4965 -1.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4658 1.9258 -1.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5784 1.3016 -3.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3005 -1.3490 -1.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4272 -1.9158 -2.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1050 -1.1260 -1.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2596 0.4597 -2.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 1.9914 -2.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5184 0.7497 -1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5712 -0.8076 -4.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3325 -0.4255 -4.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2014 0.9179 -4.5885 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 2 0 15 16 1 0 16 17 2 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 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 24 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 54 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 3 64 1 0 4 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 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 15 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 24 87 1 1 25 88 1 0 25 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 52123 1 0 52124 1 0 53125 1 0 53126 1 0 55127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 56132 1 0 57133 1 0 57134 1 0 57135 1 0 M CHG 2 50 -1 54 1 M END