HMDB0055322 RDKit 3D TG(18:3(9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/O-18:0) 160159 0 0 0 0 0 0 0 0999 V2000 -0.2474 0.0545 -1.6496 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6573 1.2232 -2.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0478 1.1327 -3.8733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7629 1.9960 -4.4285 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 3.2432 -3.6933 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7521 4.4507 -4.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5492 5.3844 -4.9129 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0216 5.3257 -4.7459 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5132 6.5578 -4.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1561 6.6193 -2.9834 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4925 5.5219 -2.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1390 5.3587 -0.7734 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4853 6.0892 0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8838 7.3785 -0.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4175 7.3692 0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 6.4452 -0.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 4.9973 -0.4307 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6454 4.4167 0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1682 4.9829 1.9406 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1366 3.1383 1.1172 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1443 2.3724 2.2645 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5471 2.2664 2.8214 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4911 1.8974 1.8817 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6909 1.6334 2.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5706 0.2187 3.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5655 -0.7722 2.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3495 -2.2045 2.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5491 -3.1214 1.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7029 -2.8219 0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0684 -3.7839 -1.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4141 -3.5894 -2.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 -3.7105 -2.4021 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5361 -3.4380 -3.8386 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0562 -3.5715 -4.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2392 -3.2603 -5.5392 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6979 -3.4275 -5.8479 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9699 -3.0817 -7.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4258 -3.3047 -7.6013 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7251 -2.9411 -9.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1556 -3.1895 -9.4164 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5030 -4.6614 -9.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5706 1.0257 2.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5696 0.2217 3.2081 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0443 -1.0506 3.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4161 -1.4237 2.0452 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0533 -2.0142 4.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7321 -1.6830 5.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5493 -2.8093 6.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 -3.2323 7.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4332 -2.4744 8.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1364 -1.2210 8.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5413 0.0805 7.6122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4257 1.2117 8.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9982 2.0494 7.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0282 2.2285 5.8446 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 1.4263 4.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0682 0.7282 3.9901 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5352 0.6730 3.8841 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0552 -0.7078 4.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7340 -1.3358 3.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1053 -0.8053 1.8305 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6332 -0.7858 1.7149 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7027 0.2160 -0.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8512 -0.0147 -1.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6879 -0.8540 -2.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7771 1.0041 -2.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 2.1035 -1.9672 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3207 0.2076 -4.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1368 1.7908 -5.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2109 3.1269 -3.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6489 3.2632 -2.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 4.5738 -4.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0776 6.2380 -5.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2954 4.3906 -4.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4958 5.3069 -5.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3147 7.5241 -4.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5045 7.6637 -2.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2255 4.5227 -2.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6508 5.4135 -2.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5111 4.3772 -0.2857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3702 5.6731 1.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3591 8.2120 0.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8651 7.6972 -1.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0112 8.4159 -0.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3251 7.2381 1.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4226 6.7037 -1.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 6.6556 -0.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2088 4.5340 -0.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5420 4.5328 -0.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5693 2.9168 3.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5723 1.6950 3.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8871 3.3088 3.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5365 1.5912 1.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8797 2.3982 3.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7137 0.1454 3.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4925 0.1016 3.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7829 -0.4666 1.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5539 -0.6815 1.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0376 -2.4510 3.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3228 -2.3852 2.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3467 -4.1694 1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6294 -3.0524 1.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7779 -1.7770 -0.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6307 -3.0388 0.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1794 -3.6273 -1.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9752 -4.8352 -0.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7965 -4.3438 -3.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 -2.6143 -2.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -3.0851 -1.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6552 -4.7750 -2.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0513 -4.2229 -4.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9270 -2.4767 -4.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5186 -2.8950 -3.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1957 -4.6338 -3.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3288 -3.9520 -6.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0407 -2.2017 -5.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2633 -2.6830 -5.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0924 -4.4189 -5.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -3.7679 -7.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7156 -2.0114 -7.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0941 -2.7090 -6.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7307 -4.3636 -7.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0747 -3.5051 -9.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5026 -1.8622 -9.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8396 -2.5978 -8.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3740 -2.9044 -10.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6832 -4.9408 -8.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6148 -5.2658 -9.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3788 -4.9601 -9.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4478 1.0552 1.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2407 0.4983 1.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3534 -2.9835 3.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1124 -2.2146 4.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6091 -0.6730 5.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8241 -1.7296 5.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2902 -2.7096 7.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9853 -3.7315 5.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4316 -3.6353 6.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4635 -4.2649 7.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 -2.3526 8.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1044 -3.2605 8.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6112 -1.1064 9.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0677 -1.3452 7.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2758 0.1246 6.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5892 0.2093 8.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5772 1.2921 9.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6360 2.8272 7.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0760 2.5460 5.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5264 3.3018 5.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2638 1.4071 4.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5031 0.1270 3.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0853 1.2809 4.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8131 1.1369 2.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8581 -1.2423 4.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0774 -2.3668 3.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7503 -1.5082 1.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7654 0.2077 1.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0287 -1.7875 1.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9277 -0.4246 0.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9855 -0.0609 2.4959 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 2 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 1 0 26 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 21 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 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 2 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 2 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 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 21 90 1 1 22 91 1 0 22 92 1 0 24 93 1 0 24 94 1 0 25 95 1 0 25 96 1 0 26 97 1 0 26 98 1 0 27 99 1 0 27100 1 0 28101 1 0 28102 1 0 29103 1 0 29104 1 0 30105 1 0 30106 1 0 31107 1 0 31108 1 0 32109 1 0 32110 1 0 33111 1 0 33112 1 0 34113 1 0 34114 1 0 35115 1 0 35116 1 0 36117 1 0 36118 1 0 37119 1 0 37120 1 0 38121 1 0 38122 1 0 39123 1 0 39124 1 0 40125 1 0 40126 1 0 41127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 48136 1 0 48137 1 0 49138 1 0 49139 1 0 50140 1 0 50141 1 0 51142 1 0 51143 1 0 52144 1 0 52145 1 0 53146 1 0 54147 1 0 55148 1 0 55149 1 0 56150 1 0 57151 1 0 58152 1 0 58153 1 0 59154 1 0 60155 1 0 61156 1 0 61157 1 0 62158 1 0 62159 1 0 62160 1 0 M END