HMDB0260832 RDKit 3D PE(15:0/18:1(12Z)-2OH(9,10)) 124123 0 0 0 0 0 0 0 0999 V2000 16.7814 1.3298 -1.3954 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4779 1.0321 -2.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3331 -0.4309 -2.3195 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3347 -1.2905 -1.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2398 -1.0765 -0.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0941 0.2169 0.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9968 0.9381 0.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7680 0.5906 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5775 0.4818 0.5443 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8585 -0.5371 1.4606 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2726 0.1889 -0.1444 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3470 0.0932 0.9488 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8589 1.3066 -1.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5697 1.0526 -1.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4579 0.8084 -0.7748 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0912 0.6396 -1.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0405 0.3401 -0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9060 1.4209 0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9004 1.1082 1.6889 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5405 0.9823 1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2664 1.1694 -0.0964 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5122 0.6389 1.9704 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8447 0.5177 1.4731 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6701 1.4123 2.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9894 1.5571 2.0961 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1057 0.8634 2.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1205 -0.3336 2.4684 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4236 1.4980 1.7559 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5455 0.5346 1.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8744 1.1917 1.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8959 1.6800 0.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1615 2.3566 -0.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4290 1.6316 -0.3287 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9630 0.8358 0.7823 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3756 0.2642 0.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3345 1.4030 0.3689 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7526 0.8990 0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9110 0.0757 -1.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5350 0.9199 -2.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6657 0.1625 -3.6017 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0799 -0.3079 -3.8179 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2116 -0.9308 1.6756 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2142 -1.3131 3.0042 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5635 -2.9234 3.2437 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.1509 -3.2536 4.6893 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2233 -3.1975 3.1246 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7209 -3.9175 2.1440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 -5.0339 1.8764 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7564 -5.8805 0.8975 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5179 -7.0663 0.5505 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5783 0.8166 -1.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9527 2.4191 -1.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8201 0.9769 -0.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6530 1.4673 -3.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6130 1.5526 -1.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1549 -0.7680 -3.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3404 -0.6059 -2.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3469 -1.3432 -0.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2163 -2.3634 -1.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4434 -1.8183 0.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2887 -1.4576 -0.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9448 0.6016 1.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0329 1.9074 0.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8355 -0.2369 -1.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5454 1.4995 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4157 1.4058 1.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1999 -0.1505 2.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2112 -0.7554 -0.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7966 -0.4974 1.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7354 2.2546 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6971 1.4825 -1.7915 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6489 0.1760 -2.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3096 1.9679 -2.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4366 1.5896 -0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6140 -0.2002 -0.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1752 -0.2274 -2.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8085 1.5194 -2.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1052 0.0287 -0.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4211 -0.6007 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5678 2.3938 0.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8918 1.5741 1.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9065 1.8591 2.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1026 0.1028 2.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8893 0.7306 0.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5003 1.1501 3.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1999 2.4581 2.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3114 1.9617 0.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5264 2.3553 2.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3938 -0.4229 1.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6291 0.2844 2.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6905 0.5897 1.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8754 2.1122 2.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0090 2.3558 -0.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7137 0.8232 -0.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9536 2.9272 -1.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3726 3.2145 0.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3333 0.9111 -1.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1816 2.4029 -0.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3240 -0.1301 0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9667 1.2546 1.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6113 -0.2554 1.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3930 -0.4684 -0.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0545 2.1295 -0.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3864 1.9863 1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4275 1.7605 0.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0012 0.2611 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2323 -0.7883 -1.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9562 -0.2707 -1.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1706 1.8271 -2.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4837 1.2377 -2.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9499 -0.6659 -3.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3949 0.8925 -4.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3991 -0.0475 -4.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7651 0.1358 -3.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0934 -1.4239 -3.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3527 -1.5085 1.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0871 -1.2741 1.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5469 -3.7224 3.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8008 -5.5755 2.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5062 -4.7275 1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2297 -6.1465 1.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5719 -5.2307 0.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1073 -7.5076 -0.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5186 -6.8149 0.4997 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 1 0 11 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 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 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 40 41 1 0 23 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 44 47 1 0 47 48 1 0 48 49 1 0 49 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 3 57 1 0 4 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 1 10 67 1 0 11 68 1 6 12 69 1 0 13 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 23 84 1 6 24 85 1 0 24 86 1 0 28 87 1 0 28 88 1 0 29 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 31 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 46118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 50124 1 0 M END