HMDB0007911 RDKit 3D PC(14:1(9Z)/20:0) 134133 0 0 0 0 0 0 0 0999 V2000 6.4484 0.8588 3.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4368 1.0757 2.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0995 0.8418 0.7732 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0765 1.0651 -0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6825 0.8790 -1.6829 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3130 0.0092 -2.5896 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2075 -0.9286 -2.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0716 -0.7133 -3.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5347 0.6858 -3.2669 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4231 1.0884 -4.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0972 0.4780 -4.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6871 0.5233 -2.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2221 -0.2348 -1.6531 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2810 -1.7186 -1.9244 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5726 -2.5415 -1.5857 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3901 -2.1403 -2.5919 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7562 -3.4308 -2.9551 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1138 -3.2303 -3.6918 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7941 -2.4495 -4.9373 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0611 -3.2452 -5.8250 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6825 -2.3919 -7.2307 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.0879 -3.1269 -8.4812 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4810 -0.8873 -7.1311 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.0202 -1.9946 -7.2513 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3316 -1.5721 -8.5281 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7732 -1.1865 -8.6363 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6931 -2.2332 -8.3322 N 0 0 0 0 0 4 0 0 0 0 0 0 2.1041 -3.3529 -7.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3717 -2.7052 -9.5501 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7445 -1.7131 -7.4621 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8716 -2.4837 -2.7827 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0102 -2.8311 -2.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5159 -3.9526 -2.3021 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6973 -1.8756 -1.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9955 -2.0521 0.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4984 -1.0690 1.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8199 -1.2417 2.4792 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3215 -1.1735 2.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6031 -1.2442 3.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8996 -0.0369 4.5602 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1841 -0.1183 5.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4120 1.1471 6.7055 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8308 1.4378 6.9941 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1160 2.6575 7.7853 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8062 3.9957 7.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4144 4.3306 6.8819 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4305 4.1955 8.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0454 4.5085 7.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0004 4.4054 8.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3816 4.6410 7.9304 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7382 3.6224 6.8808 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1610 3.8879 6.4072 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9305 1.8438 3.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2888 0.2298 2.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9643 0.4138 4.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5826 0.4194 2.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1478 2.1565 2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9031 1.5738 0.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3818 -0.2114 0.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2152 0.4554 -0.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 2.1328 -0.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5350 1.5740 -1.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8658 -0.0097 -3.5372 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8935 -0.9411 -1.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6256 -1.9407 -2.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3503 -1.5141 -3.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5826 -0.7658 -4.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4972 0.9300 -2.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4172 1.3787 -3.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7629 1.1517 -5.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2528 2.2051 -3.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5663 0.9941 -4.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0616 -0.5858 -4.4451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7406 0.1718 -3.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8866 1.6071 -2.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0016 -0.0369 -0.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7122 0.0150 -1.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1144 -3.8930 -3.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9825 -4.1128 -2.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5535 -4.2341 -3.8836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0862 -1.6421 -4.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6855 -2.0061 -5.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0764 -2.3380 -9.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 -0.6818 -8.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 -0.8838 -9.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0233 -0.2884 -8.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2401 -3.7774 -8.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8815 -4.1610 -7.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9354 -3.0560 -6.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7999 -1.8066 -10.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2311 -3.3121 -9.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7081 -3.2612 -10.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7603 -1.9310 -7.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6635 -0.5971 -7.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7192 -2.1435 -6.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7600 -2.1500 -1.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6335 -0.8346 -1.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8988 -1.9871 -0.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2098 -3.0868 0.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5859 -1.2901 1.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4006 -0.0208 0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1304 -2.1889 2.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1511 -0.4408 3.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0631 -0.2175 1.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9622 -1.9764 1.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7558 -2.1868 4.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5063 -1.1966 3.4538 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9864 -0.0825 4.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6740 0.9008 4.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5857 -0.9483 6.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -0.2393 5.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7921 1.9222 6.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9308 0.9098 7.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4631 1.4365 6.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2332 0.5413 7.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6107 2.6014 8.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2280 2.6930 8.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5077 4.2961 6.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0982 4.7392 8.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4576 5.5121 6.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0424 4.0436 5.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6663 4.9783 8.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4297 3.1847 8.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1848 3.7302 6.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0861 5.4984 6.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 5.2197 9.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9058 3.4205 8.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4545 5.6398 7.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1009 4.6469 8.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6796 2.6172 7.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0460 3.7624 6.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6859 2.9143 6.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7150 4.5193 7.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1069 4.4126 5.4476 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 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 21 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 27 30 1 0 18 31 1 0 31 32 1 0 32 33 2 0 32 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 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 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 6 63 1 0 7 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 17 78 1 0 17 79 1 0 18 80 1 6 19 81 1 0 19 82 1 0 25 83 1 0 25 84 1 0 26 85 1 0 26 86 1 0 28 87 1 0 28 88 1 0 28 89 1 0 29 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 30 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 35 99 1 0 36100 1 0 36101 1 0 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 51130 1 0 51131 1 0 52132 1 0 52133 1 0 52134 1 0 M CHG 2 23 -1 27 1 M END