HMDB0282275 RDKit 3D PS(20:2(11Z,14Z)/20:4(5Z,7E,11Z,14Z)-OH(9)) 137136 0 0 0 0 0 0 0 0999 V2000 -13.8514 4.3369 -2.4173 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2729 2.9727 -2.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7045 1.9109 -2.9509 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1731 0.5640 -2.6174 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6629 0.1124 -1.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1508 -1.2229 -0.9145 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3838 -1.5323 0.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9425 -0.4689 1.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4429 -0.8332 2.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6246 -1.0095 3.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1497 -0.8786 3.4019 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4285 -2.1254 3.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6397 -3.3403 2.9947 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2175 -3.2743 1.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7367 -2.9567 1.4194 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4037 -2.9251 -0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9413 -2.6080 -0.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5475 -1.2730 0.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1189 -0.8773 0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1381 -1.7408 0.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4983 -2.7796 1.2977 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7697 -1.4474 0.7272 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -2.2984 1.4026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5263 -1.8046 1.4007 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5447 -0.3432 1.9863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8997 -0.0006 2.1084 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1216 1.5511 2.7297 P 0 0 0 0 0 5 0 0 0 0 0 0 1.1428 1.8082 3.8475 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7006 1.7198 3.3126 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7975 2.6564 1.4972 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4465 3.8721 1.7065 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0531 4.7623 0.5179 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6103 4.8848 0.5545 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4342 4.0203 -0.6982 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5402 3.6146 -1.4756 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7534 3.7530 -1.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1959 -1.6427 0.1772 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5153 -2.0052 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1293 -2.4902 0.9764 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1656 -1.8126 -1.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6969 -1.8937 -1.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1306 -0.7680 -0.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5657 -0.7682 0.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3725 0.2379 -0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7882 0.2238 0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5764 1.2075 -0.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1112 2.4027 -1.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8780 3.5011 -0.5516 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4831 2.2465 -2.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9439 2.1542 -2.6322 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6430 1.1393 -3.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0180 -0.0852 -3.5658 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2948 -1.3524 -2.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0279 -1.6091 -1.8892 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8052 -0.6827 -1.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2525 -1.0685 -1.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1967 -0.2388 -0.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0722 -0.2165 1.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8072 0.3498 1.6517 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6692 4.1435 -3.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1965 4.9080 -1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0472 4.9371 -2.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5974 2.7950 -0.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1477 3.0329 -2.0465 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4295 2.1814 -3.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8222 1.8414 -2.9604 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0624 0.5202 -2.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5344 -0.1879 -3.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7881 -0.0406 -1.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5787 0.8759 -0.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4571 -2.0316 -1.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0960 -2.5671 0.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2609 0.5370 0.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8436 -0.4961 1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5318 -0.9614 2.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0996 -1.2849 4.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9310 -0.1470 4.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7302 -0.3629 2.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7741 -2.3599 4.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3235 -1.9572 3.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0545 -4.1667 3.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6975 -3.7002 2.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8597 -2.6195 1.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3193 -4.3210 1.1611 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6032 -1.9586 1.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1837 -3.7615 1.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6165 -3.9186 -0.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0686 -2.1960 -0.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2835 -3.4217 0.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8530 -2.6011 -1.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8563 -1.2099 1.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1561 -0.4691 -0.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8934 -0.7114 -1.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0259 0.1547 0.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9139 -3.3415 1.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2099 -2.3432 2.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 -2.3426 2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0871 0.2726 1.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0466 -0.4060 2.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2185 0.8785 3.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9813 4.3454 2.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5420 3.7784 1.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5562 5.7494 0.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3332 5.7477 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2191 4.0824 0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1091 2.8245 -0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8704 -2.5564 -2.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9862 -0.7615 -1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9893 -2.8571 -0.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2395 -1.7869 -2.0497 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5995 -0.7518 0.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8740 0.2232 -0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0062 -1.5971 0.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9591 1.0735 -0.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2433 -0.6191 0.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6189 1.1597 -0.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0769 2.6813 -0.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8383 3.4582 0.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8824 1.4836 -2.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1989 3.2504 -2.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5140 3.0380 -2.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7597 1.2370 -3.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3785 -0.2165 -4.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9066 0.0558 -3.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8032 -2.2555 -3.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1132 -2.6929 -1.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4681 -1.0076 0.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5713 0.3569 -1.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3172 -2.1590 -0.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5308 -1.0461 -2.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2547 -0.5062 -0.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0845 0.8268 -0.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9551 0.3028 1.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1303 -1.2836 1.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2274 0.9923 0.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1755 -0.4212 2.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0871 1.0297 2.5332 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 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 1 0 20 21 2 0 20 22 1 0 22 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 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 2 0 34 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 47 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 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 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 23 95 1 0 23 96 1 0 24 97 1 1 25 98 1 0 25 99 1 0 29100 1 0 31101 1 0 31102 1 0 32103 1 1 33104 1 0 33105 1 0 36106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 44114 1 0 45115 1 0 46116 1 0 47117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 51122 1 0 52123 1 0 52124 1 0 53125 1 0 54126 1 0 55127 1 0 55128 1 0 56129 1 0 56130 1 0 57131 1 0 57132 1 0 58133 1 0 58134 1 0 59135 1 0 59136 1 0 59137 1 0 M END