HMDB0264426 RDKit 3D PA(19:0/20:4(5Z,8Z,10E,14Z)-OH(12S)) 127126 0 0 0 0 0 0 0 0999 V2000 -14.5853 4.2350 -1.9305 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2051 2.8185 -2.2537 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6783 2.7315 -2.2239 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2359 1.3119 -2.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6845 0.2813 -1.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2992 0.1064 -0.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4202 0.6402 0.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4667 1.6865 0.1812 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0690 1.0539 0.5259 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.9620 -0.0717 -0.2582 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0700 0.7333 1.9783 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9236 -0.5043 2.4386 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9296 -0.8025 3.8432 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7919 -1.9944 4.3604 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6059 -3.1895 3.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3484 -3.8919 3.8171 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3967 -4.0543 2.9582 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4158 -3.5786 1.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2520 -2.6153 1.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1545 -2.0959 -0.0427 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9536 -1.1736 -0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0843 0.0560 -0.2789 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6849 -1.6850 0.0794 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 -0.9670 0.0703 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4192 -1.6383 -0.7645 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7980 -0.9949 -0.7436 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1378 0.2688 -1.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2581 1.0017 -1.6001 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5571 0.7264 -0.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3578 0.4737 -2.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7928 0.9036 -2.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4693 0.1382 -0.9469 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4434 -1.3259 -1.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1540 -1.8900 -2.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5929 -2.0863 -2.4339 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6245 -1.0904 -2.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8700 -0.7736 -0.6945 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8955 0.3064 -0.4757 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2130 -0.1058 -1.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2881 0.9540 -0.7715 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9849 2.2495 -1.3793 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9389 3.3758 -1.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1700 3.9162 0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7428 3.2083 1.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1254 2.6947 1.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5160 1.6718 0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9577 -1.0406 1.5237 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7769 -2.3894 1.8171 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2025 -2.5611 3.4014 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.6351 -1.3640 4.2009 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8161 -3.9792 4.1134 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4769 -2.6783 3.3496 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7206 4.8958 -2.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3509 4.5531 -2.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1095 4.3090 -0.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5331 2.5425 -3.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6815 2.1551 -1.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3780 3.1141 -1.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2450 3.3974 -3.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7779 1.1000 -3.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1745 1.3278 -2.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8555 0.3237 -1.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5896 -0.7322 -2.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9151 -0.7201 0.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3770 0.2596 1.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4263 1.9824 -0.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5141 2.5755 0.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2662 1.7511 0.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8550 -0.4281 -0.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1938 1.5109 2.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7972 -1.2750 1.6967 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0636 0.0608 4.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8184 -2.1018 5.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4194 -3.9106 3.8836 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8521 -3.0696 2.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2700 -4.2797 4.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4912 -4.6021 3.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1534 -4.4716 0.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3409 -3.2001 1.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4059 -1.7686 2.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2823 -3.0584 1.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9699 -2.9603 -0.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0479 -1.5527 -0.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6018 0.1115 -0.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8404 -1.8326 -1.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2612 -2.6497 -0.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0017 0.0980 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6143 1.7715 -0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2438 -0.5630 -2.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9134 1.1338 -3.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 0.7998 -3.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7987 1.9664 -1.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9893 0.3791 -0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4783 0.5417 -0.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3738 -1.7302 -1.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8832 -1.7963 -0.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6924 -2.9534 -2.4937 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8408 -1.3731 -3.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8459 -3.0618 -1.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7858 -2.4778 -3.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3219 -0.1188 -2.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5832 -1.3644 -2.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3875 -1.7757 -0.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0078 -0.7504 -0.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4837 1.2169 -1.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9453 0.4765 0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1637 -0.3237 -2.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5482 -1.0185 -0.5018 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5226 0.9598 0.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1924 0.5317 -1.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8025 2.1944 -2.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 2.6122 -0.9923 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5890 4.2783 -1.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9022 3.1282 -1.7084 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8646 4.8377 -0.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2172 4.4919 0.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7793 4.0225 2.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0757 2.4676 1.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3466 2.2322 2.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8567 3.5600 1.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5560 1.2433 0.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6825 2.0507 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8897 0.7560 0.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -0.4308 1.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7655 -0.6343 2.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6829 -4.2550 3.6748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7152 -3.4820 2.8072 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 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 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 24 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 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 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 1 10 69 1 0 11 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 17 77 1 0 18 78 1 0 18 79 1 0 19 80 1 0 19 81 1 0 20 82 1 0 20 83 1 0 24 84 1 6 25 85 1 0 25 86 1 0 29 87 1 0 29 88 1 0 30 89 1 0 30 90 1 0 31 91 1 0 31 92 1 0 32 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 51126 1 0 52127 1 0 M END