HMDB0051285 RDKit 3D TG(20:3(5Z,8Z,11Z)/18:3(9Z,12Z,15Z)/24:1(15Z)) 183182 0 0 0 0 0 0 0 0999 V2000 -11.8587 -4.3469 -2.9853 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3630 -4.6386 -2.9399 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7890 -4.4555 -1.5975 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8601 -3.5928 -1.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2922 -2.6591 -2.3266 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5715 -1.2872 -1.8249 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6813 -0.3721 -1.6464 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2482 -0.3582 -1.8612 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5474 -1.4691 -2.4313 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6001 -2.1891 -1.8851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0471 -1.9744 -0.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5928 -1.7037 -0.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8259 -1.4702 0.5816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8926 -2.6553 1.5347 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0362 -2.4068 2.7597 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4106 -1.2111 3.5499 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5065 -0.9654 4.7444 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8757 -0.7606 4.3889 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3099 -0.7888 3.2386 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8465 -0.5043 5.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1989 -0.3201 4.9840 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6216 1.1317 5.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6942 2.0595 4.7331 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8856 3.4231 4.8582 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9423 3.7763 5.4574 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9695 4.4469 4.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4853 5.8335 4.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5651 6.9467 4.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0526 7.1004 2.9024 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2532 7.0599 2.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2569 6.8341 3.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2139 5.7911 3.5467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5535 4.8452 2.7852 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 4.5869 1.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0608 4.6030 0.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2315 5.3477 -0.5553 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2867 6.3848 -0.9732 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8436 6.3569 -2.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1862 5.1859 -2.9757 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9707 3.9046 -3.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2206 2.7694 -3.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 3.0863 -5.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2264 3.2991 -5.8985 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0816 2.0676 -5.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1497 -1.1618 5.7552 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8755 -2.5283 5.7508 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7066 -3.4229 6.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7093 -2.9116 7.0039 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5174 -4.8723 6.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8773 -5.5971 5.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6420 -7.0831 5.4639 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -7.8632 4.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0510 -7.3448 3.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5794 -7.5280 3.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7385 -6.8718 2.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9945 -7.4267 0.9652 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1386 -6.7070 -0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4807 -5.2532 -0.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8076 -4.3648 -1.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0067 -4.6220 -2.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4643 -4.5877 -2.8951 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1533 -3.3592 -2.5476 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6813 -2.5224 -3.3797 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6489 -2.6973 -4.8351 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9456 -1.4930 -5.4907 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6983 -0.2291 -5.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9581 0.9400 -5.8082 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7162 2.2370 -5.5384 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9467 3.3907 -6.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6742 4.7113 -5.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0347 4.6913 -6.5896 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0049 -3.4915 -3.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4401 -5.1796 -3.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1763 -4.0346 -1.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3223 -5.7817 -3.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7960 -4.1417 -3.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1871 -5.1197 -0.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5053 -3.5531 -0.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2480 -2.9245 -2.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8343 -2.8249 -3.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6550 -1.0516 -1.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1359 0.6129 -1.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0661 0.5496 -2.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7130 0.0457 -0.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7800 -1.7377 -3.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1685 -3.0223 -2.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1822 -2.9176 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5019 -1.1193 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1169 -2.5682 -1.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4759 -0.8451 -1.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2546 -0.5644 1.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7581 -1.2514 0.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9529 -2.8298 1.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5621 -3.5781 1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1156 -3.3646 3.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0093 -2.4215 2.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4686 -1.3667 3.8959 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4285 -0.3224 2.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6652 -1.8456 5.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9669 -0.0975 5.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2814 -0.4691 3.9227 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7728 1.2992 6.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6152 1.2819 4.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8227 4.2909 3.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9753 4.3060 4.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6854 5.9244 5.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4574 5.9792 4.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8678 7.1823 5.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2703 7.8827 4.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7928 7.2729 2.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4285 7.2503 1.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8778 6.9708 4.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8924 7.8216 3.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8436 5.8153 4.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3753 4.1128 3.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6506 3.4791 1.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0453 5.0847 1.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8527 3.8371 0.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1568 5.2034 -1.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8352 7.3676 -0.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3813 6.3780 -0.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6753 6.7508 -3.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0857 7.2214 -2.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9039 5.3717 -4.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2209 4.9945 -2.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3225 3.5597 -1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9375 4.0575 -3.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8777 1.8587 -3.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2923 2.5329 -3.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 3.9623 -5.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4175 2.2138 -5.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9108 3.4276 -6.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6896 4.2227 -5.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6923 2.0569 -4.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7466 1.9478 -6.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4494 1.1545 -5.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3609 -0.7675 6.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1482 -1.0563 5.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1696 -5.3130 7.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4825 -5.1657 6.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -5.2303 4.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9576 -5.4321 5.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6475 -7.2858 5.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3643 -7.3766 6.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7059 -8.9207 4.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0142 -7.7753 3.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2555 -8.0057 2.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3022 -6.3263 2.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3665 -6.9540 4.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 -8.6043 3.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6601 -6.9457 2.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0075 -5.7895 2.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0565 -7.2209 0.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7771 -8.5091 0.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0698 -6.8947 0.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3738 -7.2022 -1.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1411 -4.8841 0.9609 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5891 -5.1748 -0.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0988 -3.2862 -0.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3079 -4.4085 -0.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4753 -3.8548 -3.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 -5.6082 -2.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9306 -5.4857 -2.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4847 -4.8868 -3.9552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2409 -3.1069 -1.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2115 -1.6031 -3.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1534 -3.5785 -5.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7038 -2.7018 -5.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9249 -1.4297 -5.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9885 -1.6710 -6.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7178 -0.3265 -5.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7748 -0.0081 -4.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9567 1.0353 -5.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8269 0.7903 -6.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7538 2.2142 -5.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 2.3600 -4.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9634 3.5129 -5.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7043 3.2824 -7.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1226 5.5786 -6.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8198 4.8610 -4.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4725 5.7009 -6.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8773 4.3847 -7.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6960 4.0044 -6.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 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 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 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 21 45 1 0 45 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 62 63 2 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 12 90 1 0 13 91 1 0 13 92 1 0 14 93 1 0 14 94 1 0 15 95 1 0 15 96 1 0 16 97 1 0 16 98 1 0 17 99 1 0 17100 1 0 21101 1 6 22102 1 0 22103 1 0 26104 1 0 26105 1 0 27106 1 0 27107 1 0 28108 1 0 28109 1 0 29110 1 0 30111 1 0 31112 1 0 31113 1 0 32114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 44134 1 0 44135 1 0 44136 1 0 45137 1 0 45138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 62165 1 0 63166 1 0 64167 1 0 64168 1 0 65169 1 0 65170 1 0 66171 1 0 66172 1 0 67173 1 0 67174 1 0 68175 1 0 68176 1 0 69177 1 0 69178 1 0 70179 1 0 70180 1 0 71181 1 0 71182 1 0 71183 1 0 M END