HMDB0265677 RDKit 3D PA(20:4(5Z,7E,11Z,14Z)-OH(9)/22:1(13Z)) 134133 0 0 0 0 0 0 0 0999 V2000 18.4649 -2.4083 -1.7748 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9684 -1.0592 -1.3714 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4536 -0.9607 -1.5357 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8535 -2.0295 -0.6471 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3305 -1.9209 -0.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9805 -0.5712 -0.3026 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3745 0.3210 -1.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9684 0.1409 -2.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5851 0.1991 -2.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5065 0.3555 -2.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3703 0.5137 -0.7244 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7547 1.8503 -0.3143 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4818 2.0486 -0.8011 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9420 2.1130 1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1333 1.6440 2.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9778 0.8269 1.7498 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2596 0.4101 2.7696 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0643 -0.4127 2.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4458 -0.8123 1.4562 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8570 0.3247 0.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8522 1.0285 1.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 2.0045 2.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5319 0.5678 1.5164 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6716 1.2800 2.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3163 0.7225 2.4315 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3322 -0.7993 2.7119 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8651 -1.4778 1.6472 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8832 -3.1316 1.8594 P 0 0 0 0 0 5 0 0 0 0 0 0 1.4375 -3.4458 3.2339 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9124 -3.8849 0.7513 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6483 -3.8136 1.6956 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4801 0.8722 1.2882 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7492 1.4382 1.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0259 1.7753 2.6566 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7532 1.6714 0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0427 2.0391 1.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4894 0.8631 1.9319 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9833 -0.2668 1.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2655 0.1885 0.4318 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8863 -0.8510 -0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1419 -1.2274 -1.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9869 0.0194 -2.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3821 0.5955 -2.7676 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3587 -0.3356 -3.3771 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7612 0.3209 -3.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2339 0.6764 -2.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3377 0.1843 -1.5994 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2897 -0.7578 -2.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6845 -0.1470 -2.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1969 0.2200 -0.8295 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2981 -0.9876 0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7075 -0.8928 1.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9975 -0.3795 1.8749 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2993 1.0431 1.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2643 1.9537 2.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9837 -2.6855 -2.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5860 -2.3214 -1.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2616 -3.1841 -1.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4787 -0.2835 -1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1657 -0.9003 -0.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0806 0.0268 -1.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1789 -1.2147 -2.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1744 -3.0387 -0.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2056 -1.8573 0.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9204 -2.7184 -0.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0276 -2.1820 -1.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2526 -0.3263 0.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2222 1.3135 -0.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4935 -0.7574 -2.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5031 0.9871 -3.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4053 0.0917 -3.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5049 0.3697 -2.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6542 -0.2994 -0.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2711 0.3469 -0.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3953 2.6056 -0.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3470 1.5375 -1.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8118 2.7424 1.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3705 1.9051 3.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7041 0.5343 0.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6056 0.7219 3.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2402 -1.3912 3.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2938 0.0774 3.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2286 -1.3071 0.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6664 -1.5708 1.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5535 0.9633 0.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2506 -0.1770 -0.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6844 2.3708 2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0813 1.2224 3.4573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2575 1.1179 3.3182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7369 -1.0549 2.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9431 -0.9885 3.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6116 -3.8186 -0.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7044 -4.2793 0.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8735 0.8193 -0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4008 2.5464 -0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7401 2.4011 0.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7242 2.8808 1.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3473 1.1724 2.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7077 0.4625 2.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1105 -1.1921 1.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2297 -0.5004 0.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0145 0.4718 1.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1011 1.1492 -0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9734 -0.6380 -0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9484 -1.7886 0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1000 -1.4996 -1.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6514 -1.9995 -2.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6108 -0.3442 -3.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2761 0.7346 -2.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7675 0.9987 -1.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2537 1.4828 -3.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4465 -1.3198 -2.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1210 -0.5817 -4.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6591 1.1801 -4.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3828 -0.4278 -3.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6308 1.4104 -1.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5620 0.5416 -0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3201 -1.7557 -1.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0338 -0.9607 -3.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3948 -0.8079 -2.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6105 0.7909 -2.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1290 0.7676 -1.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5178 0.9364 -0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9402 -1.7899 -0.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2402 -1.4356 0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9021 -0.3291 2.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5460 -1.9602 1.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0048 -0.5037 3.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8627 -1.0521 1.5805 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2672 1.3323 2.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4921 1.3022 0.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8285 1.4394 3.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7264 2.8888 2.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4707 2.2059 1.4836 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 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 25 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 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 2 0 47 48 1 0 48 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 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 24 87 1 0 24 88 1 0 25 89 1 1 26 90 1 0 26 91 1 0 30 92 1 0 31 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 55134 1 0 M END