HMDB0266741 RDKit 3D PA(P-16:0/18:2(10E,12Z)+=O(9)) 113112 0 0 0 0 0 0 0 0999 V2000 14.7713 1.8509 0.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9263 1.6542 1.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4731 1.5401 0.9747 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0665 2.8266 0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5838 2.6284 -0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8817 2.4237 1.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2143 1.3301 1.4712 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1080 0.2246 0.5488 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3965 -0.8329 0.9699 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2462 -1.9818 0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5886 -2.9699 0.5234 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8567 -1.9641 -1.2485 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5147 -3.0815 -2.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2387 -3.3208 -2.7483 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9260 -3.4351 -2.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2041 -2.3000 -1.5478 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9330 -1.1543 -2.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1670 -0.0705 -1.7831 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8374 -0.4888 -1.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3337 -1.6084 -1.6039 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0163 0.3083 -0.5012 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -0.1597 -0.0796 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4087 0.7139 -0.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5654 0.1111 -0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 0.5155 -0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5918 0.2477 -1.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9993 0.6629 -1.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5516 1.3663 -0.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9724 1.7915 -0.3833 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9196 0.6162 -0.6738 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8622 -0.4003 0.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5910 -1.6519 0.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0505 -1.7323 0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6691 -1.1713 -0.9726 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1786 -1.4186 -0.9684 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8067 -0.7798 0.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5893 0.7339 0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2989 1.2213 1.5001 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1827 2.7228 1.6531 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7978 3.4424 0.4696 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7277 -0.2143 1.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7100 -1.0833 1.9128 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7020 -1.1775 3.5922 P 0 0 0 0 0 5 0 0 0 0 0 0 2.5773 -0.1023 4.1986 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1064 -1.0180 4.1477 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3289 -2.6843 4.0908 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8115 2.9183 -0.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2692 1.3232 -0.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7815 1.4228 0.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0627 2.4952 2.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2565 0.7353 1.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8285 1.3806 1.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3755 0.6808 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6220 2.8854 -0.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1660 3.6883 0.9252 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2107 3.5587 -0.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5505 1.8093 -0.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9418 3.2557 1.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7307 1.2970 2.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5628 0.2109 -0.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9369 -0.8454 1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9767 -1.9451 -1.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6764 -0.9703 -1.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2922 -3.0327 -2.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8290 -4.0749 -1.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3836 -4.3371 -3.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2022 -2.6121 -3.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9151 -4.2533 -1.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1839 -3.9200 -2.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1720 -2.7302 -1.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5677 -1.9219 -0.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8446 -0.7797 -2.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2709 -1.5010 -3.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7534 0.2967 -0.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0561 0.8373 -2.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -1.1880 -0.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2381 1.7319 -0.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4007 0.6649 -1.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3959 1.0942 0.5877 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0871 -0.3234 -2.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9765 1.4309 -2.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6555 -0.1409 -1.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3965 0.7933 0.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9662 2.3203 -0.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0575 2.5561 -1.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3021 2.1992 0.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8593 0.2352 -1.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9286 1.1311 -0.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7475 -0.6762 0.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0877 0.0795 1.4204 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1198 -2.3226 -0.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2340 -2.2802 1.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5332 -1.2139 1.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3476 -2.8306 0.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5436 -0.1046 -1.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3134 -1.6800 -1.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5716 -0.9871 -1.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2999 -2.5084 -0.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4755 -1.2240 1.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9230 -0.9671 0.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9740 1.2185 -0.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4974 0.8999 0.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3561 0.9239 1.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7877 0.7593 2.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7099 2.9983 2.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1343 3.0337 1.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8041 3.0161 0.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1217 3.4016 -0.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9363 4.5133 0.7675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0155 0.8074 1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2684 -0.4728 1.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4621 -1.6187 3.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4341 -3.2729 3.2834 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 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 28 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 22 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 9 61 1 0 12 62 1 0 12 63 1 0 13 64 1 0 13 65 1 0 14 66 1 0 14 67 1 0 15 68 1 0 15 69 1 0 16 70 1 0 16 71 1 0 17 72 1 0 17 73 1 0 18 74 1 0 18 75 1 0 22 76 1 6 23 77 1 0 23 78 1 0 25 79 1 0 26 80 1 0 27 81 1 0 27 82 1 0 28 83 1 0 28 84 1 0 29 85 1 0 29 86 1 0 30 87 1 0 30 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 45112 1 0 46113 1 0 M END