HMDB0286605 RDKit 3D PC(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/18:2(9Z,12Z)) 139139 0 0 0 0 0 0 0 0999 V2000 -4.0446 -2.4155 1.6577 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3650 -1.1542 1.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3587 -1.4180 0.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1019 -1.0721 0.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5954 -0.4014 1.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 0.9431 1.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9552 1.3650 0.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3039 1.2996 1.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2733 2.3796 2.7103 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6838 3.6372 2.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4834 4.0313 2.7456 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2682 3.2703 3.6959 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6881 3.8695 4.9521 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4232 3.4446 6.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6242 2.2562 6.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3387 1.1546 7.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3341 -0.0568 6.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6248 -0.4818 5.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3753 -1.5104 5.8283 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4352 -2.6865 5.3354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3959 -3.2692 4.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6015 -3.6512 3.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1207 -4.3063 1.9891 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1189 -4.5987 1.8339 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8701 -4.6709 0.9475 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0482 -5.2035 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3418 -4.8716 -1.4677 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2807 -5.6162 -2.5648 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4592 -4.9312 -2.4738 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6779 -5.4207 -3.4882 P 0 0 0 0 0 5 0 0 0 0 0 0 3.3153 -6.6090 -4.3268 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1614 -4.1931 -4.5562 O 0 0 0 0 0 1 0 0 0 0 0 0 5.0591 -5.7939 -2.5663 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4857 -4.6869 -1.8344 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7058 -5.0267 -1.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5659 -6.0862 -0.1031 N 0 0 0 0 0 4 0 0 0 0 0 0 5.2183 -6.5159 0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 -7.2316 -0.6498 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1805 -5.7981 1.1697 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2912 -3.5613 -1.9177 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7736 -3.1934 -2.7381 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6096 -4.1218 -3.0227 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0135 -1.8522 -3.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7039 -2.0212 -4.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 -0.7083 -5.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1675 -0.0394 -4.4713 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5141 1.2771 -5.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3718 2.2908 -5.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0927 2.4756 -3.5429 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0411 3.4722 -3.3065 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2461 4.5863 -2.6283 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5402 4.9538 -2.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4807 5.0555 -0.5937 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7544 6.1025 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1758 7.3702 -0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 8.4484 -0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5363 9.7871 -0.5955 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5605 9.8148 -2.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1859 9.4631 -2.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8080 -2.0775 2.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6224 -2.9052 0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3545 -3.1248 2.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2333 -0.6573 0.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1440 -0.4385 1.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7091 -1.9477 -0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3596 -1.2809 -0.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2946 -1.0337 1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2854 -0.3247 2.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8689 1.7473 1.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9182 0.4160 1.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9951 1.9498 3.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4019 2.6230 2.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2222 4.2570 1.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8987 4.9947 2.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9107 2.2136 3.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2697 3.0688 3.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3084 4.8004 4.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8170 3.9987 7.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1071 2.6229 7.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0397 1.8764 5.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8779 1.3587 8.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8924 -0.8323 7.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3787 -0.9421 4.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0537 0.2801 4.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0653 -1.1673 6.6492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2213 -3.3605 5.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1669 -2.6445 3.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8488 -4.1994 4.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2665 -2.7806 3.0292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2837 -4.4038 3.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0169 -6.3851 -0.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2034 -5.1274 -0.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 -5.4041 -1.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3322 -6.6512 -2.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 -5.5269 -3.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7682 -3.8646 -2.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6597 -4.2645 -1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5307 -5.2198 -1.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0339 -4.1176 -0.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4871 -5.6678 0.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8894 -7.2086 -0.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1794 -7.0511 1.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8697 -7.5553 -1.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3806 -6.8982 -0.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2739 -8.0857 0.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2904 -5.9395 1.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8129 -6.5564 1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9661 -4.7780 1.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0247 -1.3595 -3.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5081 -1.1355 -2.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0864 -2.5771 -5.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6586 -2.6147 -4.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5063 -0.9453 -6.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2007 -0.0832 -5.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1097 -0.6717 -4.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9883 -0.0006 -3.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7435 1.1337 -6.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3751 1.7150 -4.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4632 1.9270 -5.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7566 3.2517 -5.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6389 1.4740 -3.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9757 2.6121 -2.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0152 3.3068 -3.7057 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3802 5.2652 -2.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8463 5.9337 -2.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3337 4.2713 -2.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1732 4.1541 -0.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6741 6.0565 1.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4151 7.4157 -1.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1219 7.6636 0.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2105 8.4680 1.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1356 8.1691 -0.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5523 10.0575 -0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8033 10.5200 -0.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7614 10.8746 -2.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3292 9.1903 -2.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3913 9.9781 -2.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1039 9.7945 -3.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0733 8.3658 -2.5988 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 7 8 1 0 8 9 1 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 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 36 39 1 0 27 40 1 0 40 41 1 0 41 42 2 0 41 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 2 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 8 6 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 8 70 1 0 9 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 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 22 89 1 0 22 90 1 0 26 91 1 0 26 92 1 0 27 93 1 1 28 94 1 0 28 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 37100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 39108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 54128 1 0 55129 1 0 55130 1 0 56131 1 0 56132 1 0 57133 1 0 57134 1 0 58135 1 0 58136 1 0 59137 1 0 59138 1 0 59139 1 0 M CHG 2 32 -1 36 1 M END