HMDB0049222 RDKit 3D TG(18:1(11Z)/14:1(9Z)/20:3(5Z,8Z,11Z)) 157156 0 0 0 0 0 0 0 0999 V2000 8.4272 0.2635 -0.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4251 1.6865 -1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4993 2.6352 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2707 2.4077 0.9188 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3013 3.3097 2.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3890 4.2047 2.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1949 4.4126 1.5319 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9272 4.1973 2.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6958 4.4378 1.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5298 3.5171 0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2749 3.8564 -0.4451 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0391 3.7877 0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 4.1266 -0.3264 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6265 3.3093 -1.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5472 2.4374 -1.2409 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1485 3.3612 -2.7532 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6463 2.5655 -3.7789 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9043 1.3514 -4.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4385 1.4359 -4.5435 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0092 0.2213 -4.9192 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2478 -0.7969 -4.8839 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3934 -0.0164 -5.3515 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5807 -1.4959 -5.6954 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9872 -1.7068 -6.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2749 -3.0617 -6.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2108 -3.8221 -6.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1815 -3.5701 -5.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 -4.6198 -4.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1458 -4.5731 -2.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7578 -3.4356 -1.9334 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7449 -3.8412 -0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5107 -3.4785 -0.8045 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8378 -2.5011 -1.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5672 -3.0077 -2.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4827 -4.2255 -3.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8035 -5.5360 -2.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8788 -5.8070 -1.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1219 -7.1348 -0.5441 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8803 -8.2898 -1.5058 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5735 -8.2173 -1.9617 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2826 3.3343 -4.8885 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3965 4.0173 -4.4344 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4871 5.0944 -3.6094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4585 5.6421 -3.1797 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8123 5.6271 -3.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7251 6.7177 -2.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0760 7.1933 -1.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8643 6.0654 -1.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1295 5.5067 0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8859 4.3340 0.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1339 3.7926 1.9205 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8860 2.5913 2.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1733 2.0315 3.6913 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8856 0.8571 4.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3158 -0.3241 4.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9263 -0.5345 3.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0774 -1.0569 4.9869 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5312 -2.3755 5.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5182 -3.4933 4.5228 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1831 -3.7981 3.9336 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1325 -4.2108 4.9048 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0505 0.1691 0.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3880 0.0005 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7637 -0.4577 -1.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3481 1.8406 -1.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5559 1.9095 -1.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3652 2.4311 0.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5689 3.6629 -0.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3469 2.3270 0.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4541 1.3667 1.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1745 3.2288 2.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4991 4.8453 3.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1964 5.5113 1.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1425 3.8454 0.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9437 3.1203 2.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9484 4.8683 3.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6926 5.4995 1.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8146 4.3583 2.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3788 3.7035 -0.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4557 2.4544 0.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3551 4.8251 -0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1652 3.0550 -1.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0587 2.7732 0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1987 4.5625 1.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 5.1807 -0.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0399 4.1848 0.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 2.0572 -3.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0033 0.6008 -3.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4629 0.8463 -4.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 0.1813 -4.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6764 0.5348 -6.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4437 -2.0507 -4.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8145 -1.8514 -6.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1602 -0.9892 -7.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6489 -1.3693 -5.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6746 -3.5296 -7.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3428 -4.8678 -6.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9337 -2.6170 -4.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2027 -3.3663 -5.5155 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5971 -5.6394 -4.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3180 -5.5307 -2.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6494 -3.0734 -1.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4545 -2.5846 -2.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0963 -4.6190 -0.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9179 -3.9153 0.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5515 -1.6287 -0.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5083 -2.0290 -2.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0914 -2.1101 -2.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 -3.1479 -1.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0529 -4.1777 -3.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4029 -4.2799 -3.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8584 -5.5714 -2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6775 -6.3535 -3.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9104 -4.9861 -0.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1573 -5.8436 -1.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4263 -7.2174 0.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1741 -7.1572 -0.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9949 -9.2186 -0.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5484 -8.2273 -2.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1561 -7.6594 -1.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6967 -7.7144 -2.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9481 -9.2513 -2.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5453 3.9848 -5.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6578 2.5813 -5.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5331 4.8352 -2.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2278 6.0966 -4.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2155 7.6294 -2.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1004 6.4275 -1.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6862 7.6081 -2.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9506 7.9811 -0.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8104 6.5051 -0.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1154 5.2443 -1.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0981 6.2866 0.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0776 5.2416 -0.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8769 4.7057 1.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0368 3.5860 -0.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0855 4.5882 2.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0895 3.5389 1.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8893 2.9217 2.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0617 1.8363 1.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3710 2.8401 4.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0994 2.0087 3.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9362 1.0081 4.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8793 -1.1975 4.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4222 0.2417 3.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9519 -1.4187 3.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0150 -1.0754 4.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2061 -0.3126 5.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5474 -2.3088 5.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8596 -2.6461 6.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8734 -4.4456 5.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2896 -3.3073 3.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3187 -4.6593 3.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8644 -2.9377 3.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2325 -3.7749 5.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1010 -3.9650 4.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1492 -5.3134 5.0305 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 2 0 20 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 2 0 29 30 1 0 30 31 1 0 31 32 2 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 17 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 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 52 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 9 78 1 0 10 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 17 87 1 1 18 88 1 0 18 89 1 0 22 90 1 0 22 91 1 0 23 92 1 0 23 93 1 0 24 94 1 0 24 95 1 0 25 96 1 0 26 97 1 0 27 98 1 0 27 99 1 0 28100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 40122 1 0 41123 1 0 41124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 61157 1 0 M END