HMDB0263554 RDKit 3D PA(22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)/17:0) 123122 0 0 0 0 0 0 0 0999 V2000 -18.2853 -0.7304 1.8795 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2644 0.4112 1.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6043 0.3982 0.4392 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3163 0.2615 0.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3525 0.0925 1.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3930 1.2029 1.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0968 1.1446 1.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3831 -0.1257 1.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3795 -0.3855 2.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4325 0.6353 2.1571 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7510 -1.6644 2.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8861 -2.2994 1.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0056 -3.2010 0.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2422 -3.0775 -0.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1220 -1.9405 -0.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9815 -0.8082 -0.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6486 0.4139 -0.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3485 1.0344 -0.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1691 0.2353 -0.4761 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2925 0.4836 -1.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4453 1.5670 -2.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3508 2.5799 -2.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0521 2.0410 -2.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6712 2.0768 -3.9883 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0945 1.4622 -1.9108 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1469 1.0359 -2.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 0.4298 -1.4285 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0641 1.3197 -0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7271 0.7098 0.8432 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8065 1.6289 2.2338 P 0 0 0 0 0 5 0 0 0 0 0 0 3.2357 2.1428 2.4082 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 2.9562 2.2455 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5223 0.5895 3.5542 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2767 0.0966 -1.8936 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9214 -1.0776 -1.9927 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3583 -2.1359 -1.6104 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3206 -1.2138 -2.5536 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6560 0.1462 -3.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9822 0.3061 -3.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 0.0277 -2.8178 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0703 0.9443 -1.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2615 0.8044 -0.7468 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4256 -0.5998 -0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6273 -0.6869 0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8970 -0.2300 0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0950 -0.3053 1.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3771 -1.6904 1.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4714 -1.8812 2.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8672 -1.5946 2.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2250 -0.2157 1.6275 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7869 -0.2348 1.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2453 1.1327 1.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.8232 -1.5786 2.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.6984 -1.0003 0.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.1007 -0.3662 2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9411 1.3434 1.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6882 0.4075 2.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2259 0.5136 -0.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9412 0.2751 -0.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9021 -0.9177 1.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9270 0.0280 2.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8330 2.2128 1.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5044 2.0732 1.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7557 0.0055 0.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0490 -0.9423 0.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9272 -0.2168 3.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0484 0.6657 3.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9757 -2.2644 3.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8635 -3.3861 1.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8107 -4.2301 1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6119 -3.9740 -0.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5349 -2.3619 -2.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0816 -1.7783 -1.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0783 -1.0691 -0.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5531 1.1075 -0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3095 1.5194 0.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3006 1.9877 -0.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9003 -0.5996 0.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 -0.1501 -1.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3937 2.0955 -2.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3477 1.0620 -3.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5816 3.4716 -3.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2282 2.9758 -1.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0013 0.3163 -3.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 1.9578 -2.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5081 -0.5366 -1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0541 1.6757 0.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6522 2.2305 -0.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1162 2.7795 1.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3753 -0.3385 3.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9488 -1.5782 -1.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1865 -1.9266 -3.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 0.9306 -2.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8929 0.4721 -3.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0575 -0.2773 -4.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0575 1.4046 -4.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0660 0.2068 -3.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0940 -1.0316 -2.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1313 0.7397 -1.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9758 2.0220 -1.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2133 1.5612 0.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1575 1.1415 -1.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5609 -1.3317 -1.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5446 -0.9029 0.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6778 -1.7491 0.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3763 -0.0736 1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1903 -0.9091 -0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8187 0.8213 -0.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7506 0.2698 1.9144 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8858 0.2624 0.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3962 -2.0878 1.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5579 -2.3266 0.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2332 -1.2352 3.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3990 -2.9529 2.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5190 -1.8699 2.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2008 -2.3208 1.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9382 -0.0275 0.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9963 0.5958 2.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1442 -0.5000 2.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0386 -1.0251 0.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8809 1.0880 0.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3569 1.7467 0.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7813 1.6579 1.8990 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 1 0 9 11 1 0 11 12 2 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 1 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 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 12 69 1 0 13 70 1 0 14 71 1 0 15 72 1 0 15 73 1 0 16 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 20 79 1 0 21 80 1 0 21 81 1 0 22 82 1 0 22 83 1 0 26 84 1 0 26 85 1 0 27 86 1 1 28 87 1 0 28 88 1 0 32 89 1 0 33 90 1 0 37 91 1 0 37 92 1 0 38 93 1 0 38 94 1 0 39 95 1 0 39 96 1 0 40 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 42101 1 0 42102 1 0 43103 1 0 43104 1 0 44105 1 0 44106 1 0 45107 1 0 45108 1 0 46109 1 0 46110 1 0 47111 1 0 47112 1 0 48113 1 0 48114 1 0 49115 1 0 49116 1 0 50117 1 0 50118 1 0 51119 1 0 51120 1 0 52121 1 0 52122 1 0 52123 1 0 M END