HMDB0049730 RDKit 3D TG(18:1(9Z)/15:0/20:4(5Z,8Z,11Z,14Z)) 160159 0 0 0 0 0 0 0 0999 V2000 -3.1012 -0.4555 -2.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5736 -0.4031 -2.8803 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1670 0.9772 -2.8383 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9212 1.5314 -1.4295 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5739 2.8735 -1.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4064 3.4260 0.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8871 4.6171 0.3264 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3808 5.5892 -0.6485 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0856 6.1621 -0.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9717 6.0809 -0.9843 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7805 5.3719 -2.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7113 4.4414 -2.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2952 4.0802 -1.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6617 4.5178 -0.4071 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9996 3.3420 0.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4318 2.9423 1.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7283 3.5948 2.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8571 2.6072 2.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3241 1.9417 1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2723 1.1132 0.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9985 1.2687 -0.8268 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5228 0.1433 1.0703 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4514 -0.5622 0.3932 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0756 -1.4992 -0.6874 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4978 -2.7944 -0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7962 -2.7222 0.3699 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2736 -3.9397 0.8855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5046 -4.9569 0.8661 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6118 -4.1613 1.4546 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6108 -3.1307 1.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3415 -1.7500 1.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3725 -1.6849 3.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1224 -0.3090 3.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2497 -0.2942 5.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2924 -1.1510 5.8287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8889 -0.7719 5.6354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9086 -1.5216 5.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0542 -2.9388 4.8194 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1673 -3.7808 5.7319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1984 -5.2469 5.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3129 -5.5164 4.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7332 -5.0225 3.8479 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 -5.3249 2.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6063 -4.8508 2.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7637 -3.3703 2.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3685 -1.9010 -1.2918 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4950 -1.7413 -2.6599 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4933 -1.2616 -3.2868 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6913 -2.0782 -3.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3916 -1.8794 -4.9066 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4784 -2.1745 -5.8649 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7255 -1.3770 -5.7523 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 0.0937 -5.9428 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8564 0.7931 -5.8386 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 0.6316 -4.5429 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7139 1.1530 -3.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4183 2.5977 -3.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6240 3.2472 -2.5262 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1644 3.4949 -1.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6686 2.3557 -0.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0608 2.7894 1.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5665 1.5432 1.6997 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6907 -1.4334 -2.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5320 0.4002 -2.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9268 -0.5123 -1.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7987 -0.9170 -3.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0804 -1.0796 -2.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2518 0.8780 -3.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6625 1.5947 -3.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3213 0.7758 -0.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8376 1.5710 -1.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3347 3.5480 -2.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7002 2.6436 -1.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7292 2.8324 0.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8555 4.8515 1.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1523 6.4503 -0.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4306 5.1713 -1.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0699 6.7564 0.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1525 6.7133 -0.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8022 6.1931 -3.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7364 4.8059 -2.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7304 3.9002 -3.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0336 3.3108 -2.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6676 5.0897 -0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0127 5.1819 0.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8653 2.7536 0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8443 2.0682 2.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4274 3.8886 3.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1064 4.4695 1.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5067 1.8009 3.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7435 3.0743 2.7943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2057 1.3239 1.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6579 2.7386 0.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9797 -1.1885 1.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3001 0.1170 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5421 -1.0851 -1.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5525 -3.5583 -0.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2174 -3.2019 0.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9743 -5.1651 1.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5508 -4.1738 2.5761 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5864 -3.4474 1.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7350 -3.1227 -0.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4577 -1.2962 1.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2073 -1.1155 1.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6139 -2.3554 3.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3565 -2.0168 3.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8759 0.3930 3.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1316 0.0880 3.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2999 -0.6355 5.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2470 0.7639 5.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4762 -2.2302 5.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5155 -0.9948 6.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6703 0.3005 5.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0839 -1.0887 5.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6243 -3.0157 3.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0507 -3.3527 4.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8662 -3.3915 5.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4907 -3.6092 6.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4087 -5.8134 6.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2716 -5.5691 5.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -6.5743 3.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3231 -4.9544 3.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7435 -3.9019 3.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3804 -5.5293 4.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1746 -6.4373 2.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5322 -4.9099 1.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2829 -5.3641 2.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9038 -5.1163 1.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8451 -3.1016 2.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4162 -2.9669 3.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2225 -2.8447 1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5146 -1.4709 -3.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8996 -3.1697 -3.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5536 -2.6023 -5.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9091 -0.8754 -5.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7087 -3.2605 -5.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0648 -1.9821 -6.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2929 -1.5484 -4.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4044 -1.7243 -6.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1634 0.2731 -6.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7581 0.5376 -5.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7791 1.8610 -6.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4922 0.2911 -6.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4632 1.2611 -4.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9048 -0.3990 -4.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7608 0.5394 -3.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2181 0.8567 -2.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4083 3.1380 -3.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9305 2.7654 -4.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6177 2.6959 -2.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2134 4.2572 -2.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3650 3.9975 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9870 4.2922 -1.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6640 2.0476 -0.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0032 1.5176 -0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1472 3.1159 1.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8284 3.5828 0.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6787 1.5236 1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2515 1.4697 2.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1848 0.6229 1.1910 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 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 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 1 0 27 28 2 0 27 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 2 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 24 46 1 0 46 47 1 0 47 48 2 0 47 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 1 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 61 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 23 94 1 0 23 95 1 0 24 96 1 6 25 97 1 0 25 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 35111 1 0 35112 1 0 36113 1 0 37114 1 0 38115 1 0 38116 1 0 39117 1 0 39118 1 0 40119 1 0 40120 1 0 41121 1 0 41122 1 0 42123 1 0 42124 1 0 43125 1 0 43126 1 0 44127 1 0 44128 1 0 45129 1 0 45130 1 0 45131 1 0 49132 1 0 49133 1 0 50134 1 0 50135 1 0 51136 1 0 51137 1 0 52138 1 0 52139 1 0 53140 1 0 53141 1 0 54142 1 0 54143 1 0 55144 1 0 55145 1 0 56146 1 0 56147 1 0 57148 1 0 57149 1 0 58150 1 0 58151 1 0 59152 1 0 59153 1 0 60154 1 0 60155 1 0 61156 1 0 61157 1 0 62158 1 0 62159 1 0 62160 1 0 M END