HMDB0267067 RDKit 3D PA(a-17:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)) 119118 0 0 0 0 0 0 0 0999 V2000 12.9160 0.6342 0.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1768 0.2004 1.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9439 -0.2593 2.1822 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7371 -1.4540 2.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6685 -2.5579 2.6992 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3823 -3.8017 2.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3723 -4.1582 1.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2086 -3.3423 0.9495 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9100 -3.9808 1.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8193 -5.2580 0.8829 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7083 -3.2396 1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6813 -1.9177 0.8791 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4744 -1.2564 0.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4438 0.0644 0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5430 0.9609 0.4914 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1760 1.7201 -0.5522 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9096 1.7666 -1.8072 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8744 1.0751 -2.5832 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0400 2.0311 -3.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2998 3.0904 -2.7178 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1815 2.7447 -1.8192 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1848 2.6679 -0.5845 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9306 2.4670 -2.4375 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8089 2.1568 -1.7193 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1099 0.8788 -2.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1087 0.9174 -1.2486 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0339 -0.0770 -1.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8518 -1.1201 -1.9116 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3376 0.0497 -0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3062 0.5176 -1.5083 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6976 0.7850 -1.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3979 -0.4014 -0.5641 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8860 -0.0425 -0.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0554 1.0480 0.6601 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3693 1.6345 0.8903 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5041 0.8615 1.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9699 -0.2335 0.5353 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2808 -0.9259 1.0852 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4057 0.0103 1.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6799 -0.4207 1.6593 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5564 -1.4945 1.2501 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8233 -1.2942 2.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2752 -2.9260 1.3479 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1735 -3.5921 0.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7956 3.2944 -1.9266 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5261 3.3514 -3.2868 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5912 4.5903 -3.6029 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.9149 4.0221 -4.0989 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0724 5.6376 -4.7398 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8281 5.4232 -2.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8584 1.0310 0.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0527 -0.1611 -0.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5455 1.5328 -0.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5103 1.1521 2.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0051 -0.4751 1.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1145 0.4892 2.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7295 -1.5873 3.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6818 -2.1902 2.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9296 -2.7612 3.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1621 -4.6324 2.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3619 -5.2109 0.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0752 -3.5042 -0.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2666 -2.2800 1.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9389 -4.0263 2.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4327 -5.8360 1.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8044 -3.8015 0.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5672 -1.3910 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5895 -1.8379 0.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4355 0.4240 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2051 1.7137 1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3501 0.4202 1.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0512 2.3906 -0.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5512 2.4417 -2.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4774 0.4802 -3.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2605 0.3396 -2.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7734 2.5220 -4.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3928 1.4266 -4.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0466 3.6458 -2.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9626 3.9019 -3.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0369 2.1289 -0.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6889 0.0265 -1.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8013 0.7693 -3.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5893 -0.9199 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1824 0.8260 0.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2945 -0.2793 -2.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8088 1.3906 -2.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2474 1.1755 -2.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6722 1.6598 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3747 -1.2386 -1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9889 -0.7502 0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3184 0.1490 -1.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2745 -1.0387 0.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3524 1.9139 0.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5786 0.6687 1.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2610 2.6122 1.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7261 2.0558 -0.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2314 0.4612 2.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3518 1.5862 1.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2817 -1.1108 0.5553 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2385 0.1203 -0.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0560 -1.5068 1.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4512 -1.6547 0.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5415 0.4869 0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0712 0.9385 1.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5572 -0.5191 2.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3651 0.5379 1.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0475 -1.2580 0.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2688 -0.3544 1.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4367 -2.1834 2.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3635 -1.2274 3.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2574 -3.2490 2.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2497 -3.4515 1.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4597 -4.6907 0.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2081 -3.6544 1.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0724 -3.1787 -0.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0822 3.1180 -1.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3315 4.2362 -1.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9431 5.3723 -5.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5203 4.9676 -1.5880 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 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 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 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 41 43 1 0 43 44 1 0 24 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 12 67 1 0 13 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 16 72 1 0 17 73 1 0 18 74 1 0 18 75 1 0 19 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 24 80 1 1 25 81 1 0 25 82 1 0 29 83 1 0 29 84 1 0 30 85 1 0 30 86 1 0 31 87 1 0 31 88 1 0 32 89 1 0 32 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 42108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 49118 1 0 50119 1 0 M END