HMDB0277601 RDKit 3D PI(20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)-OH(16R)) 143143 0 0 0 0 0 0 0 0999 V2000 -7.9342 -0.3500 -8.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9126 -1.3432 -7.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9855 -1.7889 -8.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6918 -1.6244 -8.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0603 -0.9279 -7.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3517 0.2913 -7.6782 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0553 0.5033 -7.5052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1592 -0.4582 -6.8404 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0964 -0.9500 -7.7518 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1817 -0.8507 -7.5519 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7345 -0.2119 -6.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6361 0.9247 -6.6632 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4686 2.1586 -6.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3501 2.6561 -5.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0499 3.1504 -4.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6428 1.8871 -3.5502 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3958 1.9941 -2.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6528 2.8088 -2.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2932 2.7622 -0.9019 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5129 1.3166 -0.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5582 0.7281 -0.8943 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5466 0.6417 0.1609 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6802 -0.7171 0.4953 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4703 -1.1771 1.2534 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5425 -2.6901 1.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4205 -2.9824 2.2319 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 -4.5863 2.6198 P 0 0 0 0 0 5 0 0 0 0 0 0 2.8384 -5.5248 1.6163 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8295 -4.9147 4.1699 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5342 -4.8577 2.7182 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0913 -5.5166 1.5734 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5797 -6.8034 1.9138 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2245 -7.7777 0.9818 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0619 -6.7623 2.0315 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4568 -6.4068 3.3473 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7668 -5.8610 1.0946 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8088 -6.5237 0.4166 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8681 -5.2404 0.0460 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6332 -4.2709 -0.5954 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7784 -4.5437 0.8181 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4138 -3.6422 1.6747 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2585 -0.9632 0.5844 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2075 -0.2426 1.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4355 0.2030 2.2822 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0405 -0.0404 0.3858 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1695 1.3712 -0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1381 2.3965 0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2614 3.7436 0.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2212 4.5790 0.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3608 4.2991 1.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3036 5.3111 2.6496 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 5.0078 3.9124 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0955 3.6218 4.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2809 3.4253 5.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2061 3.1313 6.5667 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9775 2.9359 7.3409 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9447 1.5547 7.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0374 0.6505 7.7151 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1463 0.8529 6.8522 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0085 0.2285 5.6006 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3617 0.1726 7.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5370 0.4006 6.6261 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8070 -0.2050 7.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7607 -1.6819 7.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4127 0.5787 -8.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4757 -0.8318 -8.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6611 -0.0916 -7.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5482 -0.8636 -6.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5837 -2.2295 -7.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4271 -2.3059 -9.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0511 -1.9910 -9.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7146 -0.7707 -6.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3014 -1.6754 -6.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9605 1.0614 -8.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6606 1.4390 -7.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6994 -1.3322 -6.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7344 0.0124 -5.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4259 -1.4499 -8.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 -1.2380 -8.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0746 -0.0317 -5.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4577 -1.0183 -5.9294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5318 0.7312 -7.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2222 2.9217 -6.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8412 3.5123 -5.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 1.8808 -5.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8853 3.8271 -4.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3440 3.6589 -3.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7524 1.2156 -3.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2420 1.4211 -4.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7242 2.4260 -1.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6992 0.9481 -1.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3410 2.3881 -3.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4754 3.8661 -2.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2574 3.2647 -0.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6689 3.2855 -0.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9685 -1.3721 -0.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5361 -0.7600 1.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4431 -0.6973 2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4179 -3.2338 0.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4899 -2.9855 1.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2369 -5.5730 4.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9826 -5.6828 0.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1688 -7.1535 2.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3224 -7.4374 0.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4621 -7.7877 1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0264 -5.6005 3.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2527 -5.0177 1.6337 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5469 -5.8943 0.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5079 -6.0418 -0.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2184 -3.8646 -1.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 -3.9492 0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2066 -3.7557 2.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2176 -0.8039 -0.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8953 -0.1243 1.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1882 1.3970 -0.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5984 1.5318 -0.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8768 2.2787 1.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8633 2.1375 1.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5171 4.1021 -0.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2128 5.5694 0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3264 4.5227 0.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4014 3.2716 1.8355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3643 6.3629 2.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1522 5.8362 4.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1687 3.5535 5.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0777 2.8643 3.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2711 3.5495 4.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1527 3.0095 7.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1085 3.6008 8.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0374 3.2029 6.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7808 1.2697 8.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0921 -0.3538 8.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3933 1.9028 6.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1792 -0.7512 5.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1343 -0.9022 7.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5045 0.6827 8.5099 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3233 -0.0445 5.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7477 1.4740 6.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9330 0.2499 8.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6422 0.1168 6.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0839 -2.2823 6.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7869 -2.0766 7.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5565 -1.9259 8.1374 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 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 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 1 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 24 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 59 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 40 31 1 0 1 65 1 0 1 66 1 0 1 67 1 0 2 68 1 0 2 69 1 0 3 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 23 96 1 0 23 97 1 0 24 98 1 1 25 99 1 0 25100 1 0 29101 1 0 31102 1 6 32103 1 1 33104 1 0 34105 1 6 35106 1 0 36107 1 1 37108 1 0 38109 1 6 39110 1 0 40111 1 6 41112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 52124 1 0 53125 1 0 53126 1 0 54127 1 0 55128 1 0 56129 1 0 56130 1 0 57131 1 0 58132 1 0 59133 1 6 60134 1 0 61135 1 0 61136 1 0 62137 1 0 62138 1 0 63139 1 0 63140 1 0 64141 1 0 64142 1 0 64143 1 0 M END