HMDB0109373 RDKit 3D TG(18:0/i-22:0/i-18:0) 185184 0 0 0 0 0 0 0 0999 V2000 -1.5151 8.4121 7.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 8.9291 8.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3843 7.7744 8.8843 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6483 7.3181 9.8684 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1746 6.1637 10.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1937 4.9608 9.8925 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6331 3.8532 10.8074 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0259 2.5909 10.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1486 2.0415 9.2615 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2544 0.7752 8.5658 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8593 0.2159 7.7577 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3652 1.0961 6.6482 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 1.3604 5.7117 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6303 2.2097 4.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6222 2.3441 3.6945 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4819 3.0979 2.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8579 3.0992 1.7768 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9487 3.7300 0.4498 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9382 4.2257 -0.0837 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1554 3.7513 -0.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4119 4.2679 -1.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5587 3.4717 -2.4256 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9859 3.9121 -3.7864 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3728 3.2220 -4.8512 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7361 3.6602 -6.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5416 4.6065 -6.2872 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1918 3.0303 -7.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8355 1.5603 -7.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0652 0.7715 -6.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6745 -0.6698 -6.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8975 -1.4525 -6.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6081 -2.9271 -5.9744 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5263 -3.1630 -4.9558 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2636 -4.6386 -4.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8259 -5.3268 -6.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5977 -6.7798 -5.6734 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1606 -7.6161 -6.8363 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1072 -7.1931 -7.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3216 -7.2115 -6.5935 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6089 -8.5901 -6.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8502 -8.5033 -5.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1979 -9.8579 -4.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6901 -7.5504 -4.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7965 2.0748 -2.1927 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7412 1.2399 -1.9111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5876 1.7770 -1.9235 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9308 -0.1822 -1.6043 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3078 -0.5550 -1.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3430 -2.0277 -0.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3964 -2.2841 0.3484 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4273 -3.7216 0.8554 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -3.7402 1.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2283 -5.0544 2.6627 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1591 -4.9756 3.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2069 -4.6203 3.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6331 -5.6964 2.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9546 -5.5583 1.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 -4.3846 0.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1244 -4.4356 -0.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2451 -3.3792 -1.4557 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1583 -1.9672 -1.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2314 -0.9775 -2.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4976 -1.1366 -2.8991 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6131 -0.1558 -4.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9331 -0.4615 -4.7562 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0923 -0.2949 -3.8287 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0848 0.3593 -6.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4325 7.3354 7.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4135 8.5722 8.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6780 8.9586 6.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6088 9.6933 8.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4505 9.3127 7.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3072 8.1519 9.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5794 6.9897 8.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5561 7.0056 9.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8988 8.1688 10.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6484 6.4773 11.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0253 5.8645 11.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 4.6727 9.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1032 5.2437 9.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4812 4.1399 11.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2033 3.5656 11.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2563 1.8243 10.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9071 2.7412 9.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4893 2.7711 8.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9855 1.7920 9.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5408 -0.0112 9.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1821 0.9594 7.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5905 -0.7648 7.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7204 0.0282 8.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7224 2.0783 7.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1602 0.5748 6.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5901 1.9458 6.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1922 0.4313 5.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3683 1.5804 3.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1074 3.1510 4.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 2.9315 4.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0104 1.3343 3.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1569 4.1364 2.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2737 2.6069 1.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 2.0276 1.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 3.5647 2.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4706 4.1843 -1.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0938 5.3483 -1.4568 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5107 3.6745 -2.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1014 3.8966 -3.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6894 4.9793 -3.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2222 3.5221 -7.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8582 3.1200 -8.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 1.4965 -6.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5119 1.1732 -8.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4226 1.1715 -5.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8313 0.8594 -7.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3145 -1.0960 -7.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8518 -0.7250 -5.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6860 -1.3069 -6.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2732 -1.0482 -5.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5158 -3.4581 -5.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2747 -3.3009 -6.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5718 -2.6478 -5.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8189 -2.7092 -3.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4711 -4.7013 -3.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1608 -5.1111 -4.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6796 -5.2280 -6.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8979 -4.8285 -6.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5950 -7.1725 -5.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9397 -6.8273 -4.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9815 -8.6502 -6.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9745 -7.7612 -7.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3294 -7.9249 -8.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -6.1994 -7.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1807 -6.8223 -7.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0844 -6.5782 -5.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 -8.9268 -5.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7627 -9.3300 -6.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7087 -8.1712 -5.7877 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9907 -9.7447 -3.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3421 -10.3366 -4.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6371 -10.5190 -5.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6694 -6.4893 -4.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5991 -7.6543 -3.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8189 -7.8034 -3.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7012 -0.8130 -2.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1919 -0.4650 -0.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9798 -0.4548 -2.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7496 0.0868 -0.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1508 -2.6812 -1.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3632 -2.2660 -0.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6723 -1.6188 1.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3279 -2.0562 0.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4006 -3.9180 1.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2499 -4.4652 0.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4293 -3.3121 1.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7779 -2.9891 2.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1788 -5.2843 3.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1067 -5.9088 1.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4663 -4.1908 4.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0552 -5.9284 4.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1725 -3.6092 2.7972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8883 -4.6321 4.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8268 -5.9054 1.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6751 -6.6487 2.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1248 -6.4700 0.9983 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7391 -5.5839 2.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1582 -4.4059 0.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0356 -3.4568 1.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0808 -4.5357 -0.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3242 -5.4168 -0.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3919 -3.5501 -2.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1496 -3.5753 -2.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9291 -1.6973 -0.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1861 -1.7627 -0.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1902 0.0505 -1.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3292 -1.0797 -2.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5853 -2.1426 -3.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3454 -0.9080 -2.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7066 0.8790 -3.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7602 -0.2467 -4.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8965 -1.5441 -5.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9834 0.0732 -4.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8739 0.3768 -2.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3993 -1.2914 -3.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6062 1.3425 -5.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1931 0.4427 -6.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6790 -0.2077 -6.8547 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 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 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 41 43 1 0 22 44 1 0 44 45 1 0 45 46 2 0 45 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 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 65 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 3 74 1 0 4 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 6 80 1 0 7 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 9 86 1 0 10 87 1 0 10 88 1 0 11 89 1 0 11 90 1 0 12 91 1 0 12 92 1 0 13 93 1 0 13 94 1 0 14 95 1 0 14 96 1 0 15 97 1 0 15 98 1 0 16 99 1 0 16100 1 0 17101 1 0 17102 1 0 21103 1 0 21104 1 0 22105 1 1 23106 1 0 23107 1 0 27108 1 0 27109 1 0 28110 1 0 28111 1 0 29112 1 0 29113 1 0 30114 1 0 30115 1 0 31116 1 0 31117 1 0 32118 1 0 32119 1 0 33120 1 0 33121 1 0 34122 1 0 34123 1 0 35124 1 0 35125 1 0 36126 1 0 36127 1 0 37128 1 0 37129 1 0 38130 1 0 38131 1 0 39132 1 0 39133 1 0 40134 1 0 40135 1 0 41136 1 0 42137 1 0 42138 1 0 42139 1 0 43140 1 0 43141 1 0 43142 1 0 47143 1 0 47144 1 0 48145 1 0 48146 1 0 49147 1 0 49148 1 0 50149 1 0 50150 1 0 51151 1 0 51152 1 0 52153 1 0 52154 1 0 53155 1 0 53156 1 0 54157 1 0 54158 1 0 55159 1 0 55160 1 0 56161 1 0 56162 1 0 57163 1 0 57164 1 0 58165 1 0 58166 1 0 59167 1 0 59168 1 0 60169 1 0 60170 1 0 61171 1 0 61172 1 0 62173 1 0 62174 1 0 63175 1 0 63176 1 0 64177 1 0 64178 1 0 65179 1 0 66180 1 0 66181 1 0 66182 1 0 67183 1 0 67184 1 0 67185 1 0 M END