HMDB0276633 RDKit 3D PI(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/18:1(9Z)) 146146 0 0 0 0 0 0 0 0999 V2000 -1.6048 8.2082 -0.7833 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7873 7.4088 -1.3286 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9649 6.1230 -0.6453 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0263 5.7645 0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2073 6.6045 0.1853 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4411 6.8793 1.6888 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.5828 7.6965 1.7997 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7692 5.6098 2.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8459 4.9010 2.9829 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2667 3.6677 3.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4130 2.9026 4.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9992 3.1937 4.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1996 2.3541 5.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7552 2.6296 5.2364 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5242 3.9601 4.9548 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2614 2.3076 6.6486 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4757 0.9056 6.9882 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5014 0.0789 7.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8921 0.4460 7.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8303 -0.1580 6.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5477 -1.0107 5.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -1.5863 5.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2918 -3.1209 5.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2687 -3.7453 4.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1969 -4.9955 3.9970 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2473 -3.0784 3.4913 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1662 -3.6382 2.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3756 -4.2257 1.3828 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3975 -4.6436 0.3603 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2378 -3.5802 0.1630 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4587 -3.8209 -0.9565 P 0 0 0 0 0 5 0 0 0 0 0 0 7.6073 -4.6311 -0.3529 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8283 -4.6085 -2.3042 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0257 -2.2546 -1.3827 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0163 -1.3290 -1.1144 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4116 -0.4524 0.0809 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3468 0.3419 0.4297 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6497 0.2995 -0.3162 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6652 -0.6148 -0.5702 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4052 1.2376 -1.4704 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6907 2.3506 -1.0367 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7153 0.5667 -2.6234 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6095 0.0089 -3.5332 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6774 -0.4263 -2.2425 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4341 -1.2414 -3.3676 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6231 -3.0918 0.9305 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2634 -3.0967 0.8675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6774 -4.1838 1.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3994 -1.9737 0.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0419 -2.3915 0.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2077 -3.3789 -0.8279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6135 -3.8810 -0.9627 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6281 -2.7410 -1.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9878 -3.3883 -1.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1418 -4.2173 -2.5118 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1083 -3.2883 -3.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2754 -3.2966 -4.6294 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1840 -4.2434 -4.7981 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8276 -3.5104 -4.8805 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8147 -2.5906 -6.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4725 -1.8874 -6.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4062 -0.9684 -7.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3734 0.1587 -7.3696 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2629 1.2285 -6.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4355 0.8541 -4.9198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 8.7332 -1.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9619 7.4847 -0.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0073 8.9279 -0.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6800 8.0334 -1.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5519 7.1807 -2.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1179 5.4137 -0.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9760 4.7440 0.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1420 6.0458 -0.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2063 7.5808 -0.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5716 7.4106 2.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2932 8.6553 1.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7815 5.2440 2.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8226 5.2399 3.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3181 3.3304 3.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7687 1.9634 4.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6023 4.0928 3.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6544 1.4543 5.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2162 2.0019 4.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4395 4.0619 3.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9808 2.8968 7.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7057 2.7532 6.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5338 0.5528 6.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1986 -0.9652 7.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0704 1.5595 7.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2703 0.1328 8.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9226 0.1389 6.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4657 -1.3267 4.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3519 -1.2462 5.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1894 -1.3672 3.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4211 -3.4374 6.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -3.4305 4.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8544 -4.3650 3.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7576 -2.7985 2.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7046 -5.0230 1.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9695 -5.5005 0.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9454 -5.0746 -0.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5444 -5.0575 -2.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0989 -1.8921 -0.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6986 -1.1722 0.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5671 1.2175 0.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9688 0.9153 0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1095 -0.8476 0.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3880 1.6059 -1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9548 2.4910 -1.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1968 1.3994 -3.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3839 -0.9401 -3.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6934 0.0388 -2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6445 -0.9414 -3.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7092 -1.5330 -0.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4577 -1.1540 1.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3986 -2.8749 1.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7043 -1.5222 0.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5669 -4.2899 -0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8832 -2.9225 -1.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6300 -4.5769 -1.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9088 -4.4393 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6241 -2.1403 -0.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4398 -2.1757 -2.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8110 -2.6387 -1.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1582 -4.0989 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4279 -5.0383 -2.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1960 -4.6492 -2.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9088 -2.4960 -3.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4081 -2.5169 -5.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1330 -5.0749 -4.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3173 -4.7272 -5.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7075 -2.8601 -3.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0117 -4.2522 -4.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6261 -1.8783 -6.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9394 -3.1483 -7.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2687 -2.7386 -6.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2181 -1.4018 -5.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4517 -1.5679 -8.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6578 -0.5477 -7.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4426 -0.2182 -7.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2704 0.6539 -8.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0392 2.0283 -6.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2725 1.7723 -6.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4521 0.7509 -4.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9898 1.7035 -4.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 -0.0347 -4.7346 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 2 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 28 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 44 35 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 1 7 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 6 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 20 91 1 0 21 92 1 0 22 93 1 0 22 94 1 0 23 95 1 0 23 96 1 0 27 97 1 0 27 98 1 0 28 99 1 1 29100 1 0 29101 1 0 33102 1 0 35103 1 1 36104 1 1 37105 1 0 38106 1 1 39107 1 0 40108 1 6 41109 1 0 42110 1 6 43111 1 0 44112 1 1 45113 1 0 49114 1 0 49115 1 0 50116 1 0 50117 1 0 51118 1 0 51119 1 0 52120 1 0 52121 1 0 53122 1 0 53123 1 0 54124 1 0 54125 1 0 55126 1 0 55127 1 0 56128 1 0 57129 1 0 58130 1 0 58131 1 0 59132 1 0 59133 1 0 60134 1 0 60135 1 0 61136 1 0 61137 1 0 62138 1 0 62139 1 0 63140 1 0 63141 1 0 64142 1 0 64143 1 0 65144 1 0 65145 1 0 65146 1 0 M END