HMDB0095115 RDKit 3D TG(12:0/13:0/15:0) 131130 0 0 0 0 0 0 0 0999 V2000 5.3901 -7.6452 4.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0257 -6.2647 5.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5752 -6.2672 5.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6638 -6.5833 4.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 -5.5469 3.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8968 -5.9159 2.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8756 -5.1656 0.7919 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5576 -3.7361 0.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4239 -2.7435 1.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8508 -1.3261 1.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7244 -0.3238 1.8093 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2405 1.0846 1.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8471 1.3152 2.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4278 2.7320 1.9887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4398 3.3186 0.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2079 4.5599 0.4888 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6914 2.5964 -0.4774 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 3.0376 -1.7918 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 3.5876 -2.3865 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2821 3.9080 -3.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3296 2.8120 -4.5094 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1745 1.5403 -4.6226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3131 1.3026 -4.1133 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4834 0.3992 -5.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7809 0.8077 -5.9962 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3139 -0.4762 -6.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5876 -0.3227 -7.3521 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0019 -1.6700 -7.8968 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2383 -2.7101 -6.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6384 -3.9993 -7.5823 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9124 -5.1231 -6.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7631 -5.5061 -5.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5285 -5.9458 -6.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4932 -6.2823 -5.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1023 4.6824 -1.7433 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4139 4.7337 -1.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1249 3.7234 -1.5861 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9255 5.9295 -0.6685 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3720 5.9594 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8813 4.8539 0.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3815 5.0442 0.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9419 3.9610 1.6013 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2836 3.8405 2.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4224 5.0755 3.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9138 5.0701 5.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5201 4.8374 5.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9129 3.5063 5.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4578 3.4812 5.7732 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8760 2.1324 5.4984 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0137 -8.3810 5.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8955 -7.7915 3.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4987 -7.7038 4.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2079 -5.4745 4.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6134 -6.0413 5.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3712 -6.8745 6.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3372 -5.2082 5.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7619 -7.6079 3.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6113 -6.4388 4.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8630 -5.5075 2.8071 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4793 -4.6039 3.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0639 -7.0265 1.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -5.9097 2.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8180 -5.3246 0.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1040 -5.6883 0.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4832 -3.5544 1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4347 -3.4949 -0.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7188 -2.8572 2.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3936 -2.7132 0.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8316 -1.2525 1.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8730 -1.1733 0.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8532 -0.5370 2.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7406 -0.3767 1.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9094 1.7600 2.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3265 1.3351 0.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0924 0.6806 1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8190 1.0664 3.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6526 2.7996 2.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9696 3.3871 2.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9724 2.1031 -2.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6362 3.6778 -1.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 2.7976 -2.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2686 4.0828 -4.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4189 4.7649 -3.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7045 -0.4237 -4.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2127 -0.0520 -6.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5628 1.5018 -6.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4649 1.2697 -5.2844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5312 -0.7944 -7.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4078 -1.2697 -5.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3836 0.1974 -6.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3421 0.3048 -8.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9378 -1.6134 -8.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2183 -2.0723 -8.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0367 -2.4627 -6.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2989 -2.9876 -6.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8668 -4.2902 -8.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5788 -3.7645 -8.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7711 -4.8990 -5.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1786 -6.0082 -7.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4928 -4.6245 -5.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0615 -6.3688 -5.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6587 -6.8622 -7.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0754 -5.1304 -7.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5531 -7.3239 -5.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4634 -6.0575 -5.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6703 -5.6558 -4.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3575 6.1125 0.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6995 6.7943 -1.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0089 6.0545 -1.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5757 6.9230 0.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8196 3.9066 -0.0545 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3045 4.7594 1.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6166 6.0689 1.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8418 4.9376 -0.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7484 2.9893 1.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0196 4.0327 1.7864 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7812 2.9986 3.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2442 3.5308 2.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9553 5.9713 3.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5299 5.3684 3.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2822 6.0395 5.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5478 4.3133 5.7714 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3849 5.1139 6.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8122 5.5867 5.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5103 2.7382 5.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8387 3.1950 4.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4131 3.8163 6.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9267 4.2166 5.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7025 1.4366 5.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4611 1.6448 6.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1328 2.1061 4.6816 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 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 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 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 19 35 1 0 35 36 1 0 36 37 2 0 36 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 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 6 62 1 0 7 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 9 68 1 0 10 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 18 79 1 0 18 80 1 0 19 81 1 6 20 82 1 0 20 83 1 0 24 84 1 0 24 85 1 0 25 86 1 0 25 87 1 0 26 88 1 0 26 89 1 0 27 90 1 0 27 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 34106 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 42115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 46123 1 0 46124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 49129 1 0 49130 1 0 49131 1 0 M END