HMDB0010423 RDKit 3D TG(16:1(9Z)/16:0/18:1(11Z)) 157156 0 0 0 0 0 0 0 0999 V2000 -1.2024 -9.4563 -7.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3945 -7.9901 -7.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4323 -7.4825 -6.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6394 -5.9878 -5.9218 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3046 -5.4633 -4.8733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -3.9688 -4.6313 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 -3.2643 -5.9048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4488 -2.4184 -5.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3519 -2.0609 -4.9109 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3308 -0.5641 -4.5506 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 -0.3596 -3.4349 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4257 1.0803 -3.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1732 1.6897 -2.4978 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3116 3.1450 -2.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3733 3.3566 -1.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5483 4.8156 -0.8259 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5600 5.1489 0.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3150 4.6632 1.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8899 5.2892 2.5291 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5309 3.6057 1.9424 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3731 3.2774 3.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5024 2.0407 3.3912 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2441 2.3256 2.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4465 1.1529 2.4673 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7779 1.2865 1.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0639 2.4325 1.4084 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6798 0.1703 1.5688 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0102 0.4876 0.9922 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0119 1.2044 -0.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4426 1.3725 -0.7838 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4653 2.1512 -2.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8367 2.2938 -2.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8607 3.0274 -1.8285 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6122 4.4496 -1.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5407 5.1538 -0.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7030 4.5979 0.7935 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5795 4.9675 1.7158 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2075 4.5750 1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1839 5.0601 2.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4215 4.4922 3.7268 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3549 5.0280 4.6636 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1621 1.6252 4.6618 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5679 0.4277 5.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2958 -0.3217 4.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1326 0.0602 6.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5697 -1.2639 7.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1617 -2.4205 6.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6513 -2.4933 5.9808 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3961 -3.7215 5.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0312 -3.8423 4.7171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 -5.0945 3.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3676 -5.0590 2.7102 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4944 -6.2157 1.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5781 -6.0134 0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4623 -4.7680 -0.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6004 -4.6106 -1.0803 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9347 -4.5092 -0.3828 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0934 -4.3444 -1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3587 -4.2613 -0.5085 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8703 -9.6795 -8.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1635 -9.9787 -7.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4602 -9.9161 -6.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4519 -7.8035 -6.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1368 -7.4472 -8.1276 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5834 -7.7162 -6.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6531 -8.0534 -5.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6954 -5.8454 -5.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4373 -5.4954 -6.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3566 -5.7168 -5.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1438 -6.0542 -3.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9246 -3.8092 -4.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8002 -3.7267 -3.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1888 -3.4740 -6.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6024 -1.9365 -6.9695 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4080 -2.2190 -5.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3624 -2.6443 -3.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6016 -0.0207 -5.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3111 -0.3269 -4.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0958 -1.0478 -2.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3252 -0.6764 -3.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1974 1.1198 -2.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8628 1.6573 -3.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3866 1.5732 -3.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7848 1.1317 -1.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 3.6774 -3.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3309 3.5912 -1.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0635 2.7857 -0.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3278 2.9749 -1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7122 5.3410 -1.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5534 5.2076 -0.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6564 6.2851 0.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6004 4.8362 -0.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9454 4.1450 3.8641 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3889 3.0160 3.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1222 1.2560 2.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6280 3.0275 3.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4926 2.7344 1.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1469 -0.5637 0.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8657 -0.3361 2.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5458 -0.4989 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6274 1.0359 1.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5209 0.5780 -1.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4794 2.1635 -0.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0264 1.8531 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8053 0.3336 -1.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9437 3.1292 -1.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8718 1.5768 -2.8316 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7472 2.8023 -3.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2884 1.2911 -2.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8189 2.9623 -2.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1734 2.5122 -0.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4515 5.0588 -2.5947 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3435 6.2457 -0.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7835 3.4788 0.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6811 4.9538 1.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8731 4.6382 2.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6330 6.1076 1.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8941 4.9771 0.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1417 3.4592 1.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1814 4.7896 2.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2053 6.1765 2.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3598 3.3926 3.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4056 4.8347 4.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3121 4.4091 5.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6394 6.0684 4.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3715 5.0683 4.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0212 0.1502 6.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 0.8459 7.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7031 -1.2574 7.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1992 -1.3739 8.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6503 -2.3961 5.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4478 -3.4034 6.6975 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -2.6639 6.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2554 -1.5826 5.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1192 -3.6242 4.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6701 -4.6474 5.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6437 -3.9449 5.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4162 -2.9425 4.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3652 -5.0876 3.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1303 -5.9859 4.5097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5337 -4.1099 2.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6772 -5.1737 3.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2337 -7.1414 2.2984 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4876 -6.3352 1.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5829 -6.1752 1.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 -6.8752 -0.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4728 -3.8338 0.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5257 -4.8325 -0.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4536 -3.6320 -1.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5863 -5.4686 -1.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1416 -5.2560 0.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9164 -3.5182 0.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9970 -3.3448 -1.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 -5.1859 -2.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7607 -5.2865 -0.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0575 -3.8326 0.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1304 -3.5986 -0.9468 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 2 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 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 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 34 35 2 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 22 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 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 9 75 1 0 9 76 1 0 10 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 21 93 1 0 21 94 1 0 22 95 1 6 23 96 1 0 23 97 1 0 27 98 1 0 27 99 1 0 28100 1 0 28101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 41126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 1 0 57152 1 0 58153 1 0 58154 1 0 59155 1 0 59156 1 0 59157 1 0 M END