HMDB0263452 RDKit 3D PA(22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)/16:1(9Z)) 118117 0 0 0 0 0 0 0 0999 V2000 12.4468 3.3119 -3.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4114 1.7970 -2.9949 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9501 1.0933 -4.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6646 0.1955 -4.8254 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0187 -0.2693 -4.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9645 -1.7794 -4.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5358 -2.4591 -5.3587 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0110 -2.0229 -3.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0126 -1.3863 -1.9859 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0653 -1.6293 -0.8986 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1095 -0.9499 0.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2043 -1.1193 1.3898 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2020 -2.1612 1.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9156 -1.9913 1.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3670 -0.6054 1.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6773 -0.5469 2.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4360 -0.2487 2.9778 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5218 0.0671 1.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3815 -0.9073 1.9451 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1512 -0.5003 2.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7018 0.8911 2.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6396 1.0239 0.9561 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5247 0.1333 1.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2468 0.1241 2.5818 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2351 -0.6719 0.4794 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2866 -1.3973 1.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3673 -0.3693 1.4961 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2819 -0.8241 2.5831 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1182 0.2321 2.9906 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1512 -0.2048 4.2336 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.0589 -1.3508 3.8621 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1430 1.1407 4.5631 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3183 -0.6760 5.6287 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9675 0.0792 0.3194 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9332 1.3354 -0.2159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3019 2.2286 0.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6443 1.5800 -1.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6248 0.4216 -1.7028 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6474 0.4385 -0.5874 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6044 -0.7227 -0.6691 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5673 -0.6024 0.4871 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4435 0.6091 0.4513 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2893 0.5880 1.7385 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2451 1.6843 1.8161 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5338 1.5329 1.9591 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2000 0.2380 2.0641 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2351 -0.0233 0.9848 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6147 -0.0010 -0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6613 -0.2869 -1.4401 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7717 0.7228 -1.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7883 0.4040 -2.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0226 3.4593 -4.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0306 3.7306 -2.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4359 3.7322 -3.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4431 1.5087 -2.7511 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7231 1.6371 -2.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9386 1.3655 -4.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1742 -0.2426 -5.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4660 0.1543 -3.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6667 -0.1607 -5.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9508 -2.1648 -3.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3557 -2.6635 -5.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2136 -2.7821 -3.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7712 -0.6297 -1.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2857 -2.3954 -1.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9102 -0.1834 0.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9200 -1.4396 2.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8582 -0.1012 1.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6039 -3.1879 1.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2712 -2.8584 1.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0473 0.1987 1.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5738 -0.5326 0.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3347 -0.7865 3.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0446 -0.2429 4.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8954 0.2686 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 1.0686 2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6236 -1.9538 1.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3692 -1.2657 2.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 1.0191 3.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3839 1.6860 1.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2672 2.0668 0.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1229 0.8289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8290 -1.7976 2.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6527 -2.1516 0.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 0.5548 1.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6470 -1.0473 3.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8509 -1.7230 2.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8080 1.9642 4.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9228 -1.5665 5.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1898 2.5348 -1.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9475 1.5842 -2.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1526 0.6149 -2.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0968 -0.5347 -1.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2489 1.3657 -0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2264 0.4799 0.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0056 -1.6582 -0.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1249 -0.8017 -1.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9562 -0.6288 1.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1774 -1.5502 0.5155 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0616 0.6874 -0.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8092 1.5133 0.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5072 0.8059 2.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6360 -0.4124 1.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9004 2.7415 1.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1953 2.4219 2.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8065 0.2651 3.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5603 -0.6401 2.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0655 0.6939 1.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6784 -1.0443 1.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1914 0.9982 -0.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8200 -0.7866 -0.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1595 -0.3003 -2.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1167 -1.2941 -1.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3438 0.6369 -0.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3853 1.7460 -1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9363 1.3294 -3.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7736 0.1376 -2.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3930 -0.4367 -3.1376 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 6 8 1 0 8 9 2 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 27 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 2 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 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 12 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 15 71 1 0 15 72 1 0 16 73 1 0 17 74 1 0 18 75 1 0 18 76 1 0 19 77 1 0 20 78 1 0 21 79 1 0 21 80 1 0 22 81 1 0 22 82 1 0 26 83 1 0 26 84 1 0 27 85 1 1 28 86 1 0 28 87 1 0 32 88 1 0 33 89 1 0 37 90 1 0 37 91 1 0 38 92 1 0 38 93 1 0 39 94 1 0 39 95 1 0 40 96 1 0 40 97 1 0 41 98 1 0 41 99 1 0 42100 1 0 42101 1 0 43102 1 0 43103 1 0 44104 1 0 45105 1 0 46106 1 0 46107 1 0 47108 1 0 47109 1 0 48110 1 0 48111 1 0 49112 1 0 49113 1 0 50114 1 0 50115 1 0 51116 1 0 51117 1 0 51118 1 0 M END