HMDB0046988 RDKit 3D TG(22:0/O-18:0/20:3(5Z,8Z,11Z)) 186185 0 0 0 0 0 0 0 0999 V2000 4.1963 -0.7853 9.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5895 -0.5897 8.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0867 -1.8189 7.8323 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2066 -2.1633 6.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6544 -3.3789 5.9099 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6613 -4.6271 6.7304 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1140 -5.7961 5.9017 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2124 -6.0656 4.6987 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7166 -7.2268 3.9358 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0853 -8.3327 3.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7092 -8.6340 4.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8351 -8.9920 3.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7289 -8.4573 2.7179 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8989 -7.3831 3.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2957 -6.6289 4.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5160 -5.3182 4.3911 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3687 -4.4492 3.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7094 -3.7345 2.9641 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5111 -2.8253 1.7702 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7038 -2.0326 1.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3355 -2.2565 0.3381 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1566 -1.0188 2.2004 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2134 -0.1367 2.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6903 0.7173 0.7379 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7922 1.7462 0.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4399 2.7122 -0.3628 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0160 2.6920 -1.6546 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9033 1.5883 -2.2197 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7111 3.9875 -2.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8730 3.9638 -3.4929 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4281 3.2452 -4.6709 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3871 3.2378 -5.8043 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9718 4.5887 -6.2422 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8495 4.4538 -7.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7077 3.6619 -6.6222 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2685 4.2900 -5.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7836 3.4645 -4.6778 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1142 4.1147 -3.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1101 3.3399 -2.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2906 4.1038 -1.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2511 3.3536 -0.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3791 4.1230 0.9622 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3004 3.4631 1.9709 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7966 2.1113 2.3527 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6895 1.3983 3.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0994 0.0364 3.6999 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9311 -0.7201 4.6762 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0894 0.0210 5.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9455 -0.8165 6.9138 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5534 1.1611 1.0257 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 1.5798 1.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4335 1.9639 0.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 0.8974 -0.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9269 0.2863 -1.6275 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3828 -0.8428 -2.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1873 -0.4758 -3.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2571 -1.6622 -4.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4840 -1.4270 -4.9172 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6653 -1.1297 -4.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9154 -0.9818 -4.9119 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1181 -0.7080 -4.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3886 -0.6232 -4.9387 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5255 -0.3558 -4.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8882 -0.2012 -4.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6179 -1.2916 -5.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0780 -1.8604 -6.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9070 -0.8059 -7.5463 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2496 -0.1714 -7.8543 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1122 -0.2776 10.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9212 -1.8334 9.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4154 -0.2938 8.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2902 -0.3856 9.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5383 0.2941 7.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0880 -1.5493 7.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1960 -2.6493 8.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1605 -2.3620 7.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0811 -1.2882 5.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9740 -3.5311 5.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6818 -3.2296 5.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6585 -4.8662 7.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3231 -4.4620 7.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1221 -5.5749 5.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1954 -6.6927 6.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2096 -6.1527 5.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2927 -5.1877 3.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7705 -7.1136 3.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5733 -9.1333 3.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8351 -9.5072 4.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3531 -7.7509 4.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2260 -9.8696 2.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 -8.9835 1.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1354 -7.8392 3.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6725 -6.7412 2.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3835 -7.1559 5.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8207 -4.8731 5.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6796 -3.6005 3.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1039 -4.8997 2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4180 -4.5290 2.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0381 -3.1921 3.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6476 -2.1495 2.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1545 -3.3857 0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1481 -0.5519 1.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3979 0.5562 2.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7959 -0.0634 -0.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6891 1.1579 0.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1003 2.1840 1.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2986 4.7242 -1.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7046 4.4613 -2.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7619 5.0507 -3.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 3.6730 -3.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3693 3.6917 -4.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6014 2.1800 -4.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5226 2.5958 -5.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8815 2.7118 -6.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8299 5.0249 -6.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7397 5.3144 -5.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2004 3.8597 -8.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4431 5.3959 -7.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1478 3.8120 -7.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8716 2.5805 -6.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2139 5.2634 -5.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0752 4.5602 -4.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5849 2.4012 -4.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7099 3.5709 -5.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4788 5.1430 -3.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1768 4.1671 -2.7483 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1229 3.2964 -2.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8201 2.3070 -2.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7230 5.0817 -1.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3142 4.1835 -0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8890 2.3418 -0.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2478 3.3688 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3776 4.2297 1.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7088 5.1691 0.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3128 4.0860 2.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3366 3.4464 1.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6355 1.4387 1.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7948 2.2343 2.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6664 1.9977 4.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7257 1.3248 3.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0752 0.1457 4.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0485 -0.5329 2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9423 -0.9583 4.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4371 -1.6785 4.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5783 0.9905 5.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0921 0.1104 6.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6452 -0.1737 7.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5799 -1.5469 6.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3365 -1.4252 7.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8086 0.9212 2.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 2.5567 1.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5098 2.3193 0.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7563 2.8952 -0.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5029 0.0920 -0.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1099 1.3322 -1.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8966 0.0018 -1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2082 1.0860 -2.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1995 -1.2212 -3.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1811 -1.6793 -1.7461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6225 -0.1779 -2.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4465 0.3356 -3.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3636 -2.5308 -3.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6129 -1.8840 -4.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3036 -0.4727 -5.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6778 -2.2625 -5.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7970 -1.9433 -3.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 -0.1848 -3.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7461 -0.2087 -5.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0392 -1.9481 -5.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2895 -1.5755 -3.3803 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0066 0.1832 -3.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4111 -1.6207 -5.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2346 0.1123 -5.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5799 -1.2235 -3.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2743 0.5308 -3.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9684 0.7006 -5.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5461 0.1722 -3.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6925 -0.9555 -5.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7376 -2.1600 -4.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1765 -2.4449 -6.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8869 -2.5622 -6.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5846 -1.3105 -8.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1686 -0.0427 -7.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2579 0.3687 -8.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0115 -0.9776 -7.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5853 0.5041 -7.0314 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 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 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 24 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 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 1 69 1 0 1 70 1 0 1 71 1 0 2 72 1 0 2 73 1 0 3 74 1 0 3 75 1 0 4 76 1 0 4 77 1 0 5 78 1 0 5 79 1 0 6 80 1 0 6 81 1 0 7 82 1 0 7 83 1 0 8 84 1 0 8 85 1 0 9 86 1 0 10 87 1 0 11 88 1 0 11 89 1 0 12 90 1 0 13 91 1 0 14 92 1 0 14 93 1 0 15 94 1 0 16 95 1 0 17 96 1 0 17 97 1 0 18 98 1 0 18 99 1 0 19100 1 0 19101 1 0 23102 1 0 23103 1 0 24104 1 6 25105 1 0 25106 1 0 29107 1 0 29108 1 0 30109 1 0 30110 1 0 31111 1 0 31112 1 0 32113 1 0 32114 1 0 33115 1 0 33116 1 0 34117 1 0 34118 1 0 35119 1 0 35120 1 0 36121 1 0 36122 1 0 37123 1 0 37124 1 0 38125 1 0 38126 1 0 39127 1 0 39128 1 0 40129 1 0 40130 1 0 41131 1 0 41132 1 0 42133 1 0 42134 1 0 43135 1 0 43136 1 0 44137 1 0 44138 1 0 45139 1 0 45140 1 0 46141 1 0 46142 1 0 47143 1 0 47144 1 0 48145 1 0 48146 1 0 49147 1 0 49148 1 0 49149 1 0 51150 1 0 51151 1 0 52152 1 0 52153 1 0 53154 1 0 53155 1 0 54156 1 0 54157 1 0 55158 1 0 55159 1 0 56160 1 0 56161 1 0 57162 1 0 57163 1 0 58164 1 0 58165 1 0 59166 1 0 59167 1 0 60168 1 0 60169 1 0 61170 1 0 61171 1 0 62172 1 0 62173 1 0 63174 1 0 63175 1 0 64176 1 0 64177 1 0 65178 1 0 65179 1 0 66180 1 0 66181 1 0 67182 1 0 67183 1 0 68184 1 0 68185 1 0 68186 1 0 M END