HMDB0052197 RDKit 3D TG(24:1(15Z)/20:2n6/22:5(4Z,7Z,10Z,13Z,16Z)) 193192 0 0 0 0 0 0 0 0999 V2000 -8.4395 1.2985 -8.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4765 0.3917 -7.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1231 0.4083 -7.9981 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1569 -0.4902 -7.2819 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7762 -0.5022 -7.9309 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9405 -1.3895 -7.1593 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8687 -1.0561 -6.5429 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3795 0.3725 -6.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0362 0.3244 -7.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0242 0.7632 -6.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 1.3526 -5.1647 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7696 0.5210 -4.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7441 0.9325 -3.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1901 2.3619 -3.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 2.2779 -3.9297 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5504 2.7495 -3.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2528 3.3819 -1.7836 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9086 4.7244 -1.6808 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7425 4.9547 -0.6803 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0268 3.9073 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4639 4.3956 1.6456 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5565 3.3283 2.6661 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4288 2.4576 2.5966 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6428 3.3289 3.6635 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4986 2.3881 4.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1904 2.8134 5.4810 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7880 1.6637 6.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4344 1.6453 6.6588 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8127 0.7303 7.4932 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -0.1413 8.0612 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3234 0.8146 7.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3365 -0.2081 6.7187 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0122 -1.6064 7.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3918 -2.7081 6.1804 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7572 -2.9353 5.7039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3479 -1.9434 4.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7544 -2.3170 4.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2117 -1.2128 3.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5651 -1.4844 2.8129 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1911 -0.5000 1.9174 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5435 -0.0920 0.6572 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3083 0.7354 0.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6870 1.0261 -0.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4697 1.8170 -0.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2215 2.9798 -0.9989 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 3.7085 -1.8494 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6096 3.9400 -3.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5598 4.6632 -4.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8905 6.0094 -3.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8159 6.7807 -4.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2040 7.0298 -5.7781 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1501 7.8353 -6.6612 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4142 9.1508 -5.9566 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3025 2.9739 4.3410 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8509 4.2456 4.0546 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3120 5.1204 4.9102 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0061 4.7059 3.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2178 3.8759 2.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1309 3.0147 2.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 1.8679 3.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4399 0.9122 2.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8675 -0.2904 3.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7414 -1.1872 2.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1745 -2.4464 3.3567 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9905 -3.3033 2.3679 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4170 -4.5481 2.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0394 -5.7128 2.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1582 -5.8838 1.3729 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9115 -6.6777 0.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4685 -7.8213 -0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2483 -8.4703 0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4978 -9.8506 0.9864 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1775 -10.4669 1.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2279 -10.6691 0.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0537 -11.2928 0.8002 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8942 2.0461 -7.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9792 1.8655 -8.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2954 0.7503 -8.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8839 -0.6428 -7.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4278 0.7310 -6.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7506 1.4489 -7.9837 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2833 0.0616 -9.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1001 -0.3110 -6.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5438 -1.5450 -7.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4408 0.4671 -8.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9792 -1.0518 -8.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2562 -2.4511 -7.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2295 -1.7279 -5.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0417 1.0501 -7.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4534 0.6813 -5.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1305 -0.0891 -8.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9909 0.7024 -7.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3448 2.3987 -5.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0444 1.4008 -4.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4977 -0.5516 -4.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3484 0.2855 -2.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0078 2.7154 -2.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7572 2.9814 -4.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9369 1.8254 -4.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6053 2.6505 -3.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4290 2.7115 -0.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1559 3.6707 -1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6890 5.4791 -2.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2171 5.9246 -0.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8720 2.8831 0.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1836 3.9790 0.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0994 5.2510 1.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4499 4.7684 1.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2927 1.3996 4.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3566 2.4731 5.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3803 3.7179 5.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1848 0.7251 5.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3315 1.7455 7.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0192 0.4956 8.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0709 1.8220 7.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2455 0.0763 5.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4366 -0.0666 7.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3594 -1.8691 8.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1279 -1.6585 7.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3362 -2.8191 5.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1112 -3.6699 6.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4187 -3.0501 6.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8780 -3.9471 5.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7513 -1.8473 3.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3878 -0.9448 5.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8254 -3.3076 3.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4361 -2.2188 5.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4936 -1.3751 2.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9898 -0.2520 3.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5361 -2.4675 2.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3053 -1.6768 3.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5683 0.4180 2.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2079 -0.9616 1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3403 -0.9605 -0.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2679 0.5340 0.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5789 0.4354 1.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6901 1.7725 1.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4050 1.4565 -1.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4442 0.0137 -1.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6598 1.3436 0.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2679 3.4573 -0.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1849 3.2829 -1.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2960 4.7412 -1.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6922 4.5839 -3.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2200 2.9974 -3.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4778 4.0420 -4.2598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1258 4.7452 -5.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3643 5.9137 -2.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9288 6.5622 -3.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7596 6.1969 -4.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0579 7.7426 -3.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0216 6.0485 -6.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2538 7.5559 -5.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0960 7.3185 -6.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6412 8.0332 -7.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4552 9.5186 -5.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7329 9.8849 -6.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1738 8.9584 -5.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2843 5.5348 3.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6823 5.3610 2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9408 3.1666 1.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 4.4888 1.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5195 2.6866 1.7626 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 3.6576 3.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4154 1.2324 3.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8119 2.1944 4.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8758 0.5401 1.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3614 1.3643 2.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9982 -0.8958 3.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4990 0.0114 4.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -0.6181 2.4589 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2831 -1.3797 1.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3287 -3.0099 3.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -2.1403 4.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9259 -2.6577 2.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5291 -3.3228 1.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0788 -4.5259 3.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3754 -6.6468 3.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8585 -4.9422 0.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1767 -6.3347 1.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8699 -6.2772 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0882 -8.3440 -0.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5549 -7.9785 1.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6791 -8.7282 -0.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0587 -9.6717 1.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9944 -10.5410 0.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3409 -11.4487 1.8729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7103 -9.7939 2.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0228 -9.7570 -0.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6534 -11.4326 -0.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3870 -12.1503 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8556 -10.5462 0.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8503 -11.7021 1.8126 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 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 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 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 2 0 29 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 2 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 26 54 1 0 54 55 1 0 55 56 2 0 55 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 2 0 67 68 1 0 68 69 1 0 69 70 2 0 70 71 1 0 71 72 1 0 72 73 1 0 73 74 1 0 74 75 1 0 1 76 1 0 1 77 1 0 1 78 1 0 2 79 1 0 2 80 1 0 3 81 1 0 3 82 1 0 4 83 1 0 4 84 1 0 5 85 1 0 5 86 1 0 6 87 1 0 7 88 1 0 8 89 1 0 8 90 1 0 9 91 1 0 10 92 1 0 11 93 1 0 11 94 1 0 12 95 1 0 13 96 1 0 14 97 1 0 14 98 1 0 15 99 1 0 16100 1 0 17101 1 0 17102 1 0 18103 1 0 19104 1 0 20105 1 0 20106 1 0 21107 1 0 21108 1 0 25109 1 0 25110 1 0 26111 1 1 27112 1 0 27113 1 0 31114 1 0 31115 1 0 32116 1 0 32117 1 0 33118 1 0 33119 1 0 34120 1 0 34121 1 0 35122 1 0 35123 1 0 36124 1 0 36125 1 0 37126 1 0 37127 1 0 38128 1 0 38129 1 0 39130 1 0 39131 1 0 40132 1 0 40133 1 0 41134 1 0 41135 1 0 42136 1 0 42137 1 0 43138 1 0 43139 1 0 44140 1 0 45141 1 0 46142 1 0 46143 1 0 47144 1 0 47145 1 0 48146 1 0 48147 1 0 49148 1 0 49149 1 0 50150 1 0 50151 1 0 51152 1 0 51153 1 0 52154 1 0 52155 1 0 53156 1 0 53157 1 0 53158 1 0 57159 1 0 57160 1 0 58161 1 0 58162 1 0 59163 1 0 59164 1 0 60165 1 0 60166 1 0 61167 1 0 61168 1 0 62169 1 0 62170 1 0 63171 1 0 63172 1 0 64173 1 0 64174 1 0 65175 1 0 65176 1 0 66177 1 0 67178 1 0 68179 1 0 68180 1 0 69181 1 0 70182 1 0 71183 1 0 71184 1 0 72185 1 0 72186 1 0 73187 1 0 73188 1 0 74189 1 0 74190 1 0 75191 1 0 75192 1 0 75193 1 0 M END