HMDB0261512 RDKit 3D PE(18:3(6Z,9Z,12Z)/20:4(6E,8Z,11Z,14Z)-OH(5S)) 126125 0 0 0 0 0 0 0 0999 V2000 -11.5300 -0.3965 5.2392 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9530 -1.1783 4.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7206 -0.2412 2.9068 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0283 0.3784 2.4919 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8529 1.3227 1.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9490 2.4168 1.5826 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8314 2.6868 0.9671 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3647 1.8273 -0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2592 2.5438 -1.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1530 2.6731 -2.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8611 2.1241 -1.6622 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4333 1.1659 -2.7026 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1844 -0.0813 -2.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2907 -0.6645 -1.1466 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0343 -1.9551 -0.8871 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1647 -2.4760 0.4900 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0275 -1.3972 1.3712 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1376 -3.5702 0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7936 -2.9567 0.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6276 -3.8695 0.8436 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 -3.0631 0.5272 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2835 -3.6046 0.7019 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4497 -1.7892 0.0621 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3755 -0.9667 -0.2759 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1355 0.1606 0.6717 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8189 1.0816 0.2523 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6475 2.0552 -0.7105 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5308 2.1239 -1.2296 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 3.0094 -1.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0548 2.7904 -0.8059 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.4245 -1.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9843 1.1987 -0.9474 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3414 1.3049 0.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1924 2.1995 0.9672 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8439 3.1650 0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2584 3.2537 -0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2135 2.5097 0.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0612 1.3347 1.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7612 1.5375 2.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7122 0.7131 2.9386 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1752 -0.4481 2.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6493 -0.3181 1.7847 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5587 -0.1684 2.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9726 -0.0400 2.3993 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0032 0.1284 3.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2505 -0.6786 -1.7268 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0913 -1.9212 -2.4094 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0707 -1.6344 -4.0694 P 0 0 0 0 0 5 0 0 0 0 0 0 0.7378 -0.2585 -4.1816 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -1.4903 -4.8479 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0830 -2.7172 -4.8387 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5823 -3.1110 -6.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5389 -4.0846 -6.7559 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8240 -3.4649 -6.9556 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.4769 -0.9742 6.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6176 -0.2569 5.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0119 0.5705 5.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9859 -1.6378 4.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6251 -2.0184 3.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9642 0.4856 3.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3738 -0.9002 2.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7309 -0.4242 2.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4385 1.0072 3.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7667 0.7854 0.3618 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8997 1.8072 1.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2248 3.0999 2.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2081 3.5506 1.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4017 1.3533 0.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0121 0.9442 -0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1604 3.0191 -1.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1183 3.2301 -3.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0542 2.9575 -1.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7644 1.7228 -0.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3270 1.5589 -3.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8696 -0.7691 -3.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5832 -0.0928 -0.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7391 -2.5898 -1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1622 -2.9220 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2475 -0.8285 1.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2945 -4.3757 0.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2575 -3.9604 1.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7032 -2.5818 -0.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6434 -2.0686 1.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5743 -4.1094 1.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7004 -4.7725 0.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5473 -1.6704 -0.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2391 -0.2867 1.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0949 0.6552 0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6178 2.9314 -2.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3468 4.0712 -0.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6506 3.5930 -1.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1564 2.9237 0.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 1.3049 -2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 0.6750 -0.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1152 0.0738 -1.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6504 1.6624 -1.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8800 0.6018 1.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3318 2.1643 2.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5316 4.2124 0.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3165 3.2897 -0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6132 4.0941 -0.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2557 2.7734 0.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0760 0.9021 1.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6332 0.5097 0.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4638 2.4054 3.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1693 0.9710 3.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5606 -0.8978 1.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2456 -1.2836 2.9977 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9493 -1.2913 1.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7823 0.4621 1.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4845 -1.0113 3.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3173 0.7583 3.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9552 0.8523 1.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2054 -0.9030 1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7164 -0.5522 4.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9441 1.1556 3.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0155 -0.0937 3.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1692 -0.2580 -2.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6266 -0.0740 -1.9678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9754 -2.2992 -4.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5483 -2.1956 -6.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4418 -3.5228 -6.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6669 -5.0278 -6.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1051 -4.3333 -7.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6061 -4.1266 -6.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9626 -2.6098 -6.4067 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 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 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 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 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 15 77 1 0 16 78 1 6 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 24 86 1 1 25 87 1 0 25 88 1 0 29 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 31 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 36101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 50120 1 0 52121 1 0 52122 1 0 53123 1 0 53124 1 0 54125 1 0 54126 1 0 M END