HMDB0045417 RDKit 3D TG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)) 169168 0 0 0 0 0 0 0 0999 V2000 -0.2472 -3.3192 -2.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7710 -3.3033 -2.2488 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1211 -2.5487 -1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7514 -3.0565 -0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1974 -4.4861 0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6591 -4.4613 0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2996 -4.9659 1.2413 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6138 -5.6454 2.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9786 -4.9656 3.6388 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1082 -4.4121 4.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6689 -4.3620 4.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8604 -5.0653 5.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9851 -4.5067 6.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6962 -3.1054 6.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5617 -2.5085 5.6828 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6485 -3.0219 5.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8228 -4.4363 4.9009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2254 -4.6363 3.4307 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5783 -4.0100 3.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0255 -4.2139 1.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2562 -3.5705 0.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -2.0739 0.6277 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0613 -1.4450 1.6583 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6596 -1.4058 -0.5246 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7629 -0.0283 -0.6352 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7315 0.5300 -1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 1.8998 -1.7980 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6279 2.6103 -2.6003 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4846 1.9660 -3.2992 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6521 4.0971 -2.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8349 4.8762 -1.8357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 5.0655 -1.8134 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4547 3.9370 -1.8768 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2939 3.3118 -3.2356 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6132 2.0952 -3.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8282 1.6210 -4.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5166 2.7731 -5.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0673 3.4392 -6.2762 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1177 3.3564 -7.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1702 2.4313 -6.9034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5502 1.5283 -7.7723 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8939 1.3648 -9.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8809 1.5388 -10.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7812 2.4535 -11.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7136 3.4514 -11.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0188 3.3542 -12.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1679 0.4481 -0.8584 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9678 0.1124 0.3299 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6935 0.8398 1.4918 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8271 1.7300 1.3794 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3405 0.6233 2.8027 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6090 1.4842 3.8428 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1694 1.0991 3.9608 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3872 1.9642 4.9576 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9468 1.4397 4.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0216 2.1955 5.7275 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4164 1.7069 5.5936 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8592 1.9117 4.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2763 1.4567 3.9016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5482 1.7594 2.4331 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9217 1.3297 2.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2055 1.6332 0.5653 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5754 1.1780 0.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8912 1.4655 -1.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9372 0.8234 -2.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8962 -0.6702 -2.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2032 -1.3496 -2.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0572 -4.0522 -3.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2096 -3.6911 -1.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0707 -2.2858 -2.7099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1495 -4.3056 -2.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1517 -2.7304 -3.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8505 -1.4922 -0.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9938 -2.4404 0.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6105 -4.9370 0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0045 -5.0572 -0.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2275 -3.9720 -0.5638 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4066 -4.8811 1.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1600 -6.6717 2.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5692 -5.8215 2.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0787 -4.9565 3.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4642 -3.9191 5.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3647 -4.7083 3.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 -3.2689 4.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0082 -6.1745 5.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4784 -5.1668 6.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5843 -2.5030 5.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8671 -2.8063 7.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 -1.3767 5.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5399 -2.3299 5.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0971 -5.1571 5.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7793 -4.7527 5.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4882 -4.2362 2.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3205 -5.7232 3.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3381 -4.3850 3.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4855 -2.9428 3.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -3.8542 1.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0748 -5.3338 1.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4951 -3.9945 -0.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1699 -3.8482 0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4554 0.3668 0.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6851 0.2161 -1.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8169 0.0312 -2.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7528 4.3571 -2.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 4.3649 -3.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3079 5.9608 -1.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2033 4.5426 -0.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1257 5.8000 -2.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1187 5.7226 -0.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5781 4.3665 -1.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6095 3.1831 -1.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2634 4.1291 -3.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2582 3.1248 -3.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5540 2.3825 -2.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 1.3220 -2.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5443 0.7607 -4.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1235 1.3235 -5.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5320 3.0493 -4.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7569 4.2982 -6.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5914 4.4250 -6.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2387 3.4283 -8.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7824 2.4642 -5.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4007 0.8433 -7.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0435 1.8949 -9.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5827 0.2622 -9.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7427 0.8478 -10.2011 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5898 2.4872 -11.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2373 4.4547 -11.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0163 3.5177 -10.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9843 2.8510 -12.4995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2261 4.3857 -12.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 2.8850 -13.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6716 0.1009 -1.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1696 1.5537 -0.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4075 0.9398 2.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3171 -0.4010 3.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6652 2.5616 3.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1200 1.4296 4.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0764 0.0465 4.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6552 1.1282 3.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3530 3.0191 4.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7258 1.8521 5.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6812 1.7541 3.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9141 0.3548 4.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4034 2.0763 6.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1151 3.2732 5.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4994 0.6842 5.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0039 2.3976 6.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7895 2.9844 3.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2071 1.2876 3.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0360 1.9241 4.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3379 0.3641 4.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5031 2.8716 2.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7808 1.3273 1.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6846 1.8468 2.6289 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0147 0.2257 2.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4604 1.2280 -0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1937 2.7589 0.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2914 1.7054 0.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6593 0.0916 0.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9418 1.1748 -1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8611 2.5657 -1.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9242 1.2250 -2.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3122 1.0462 -3.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5299 -0.9276 -1.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1023 -1.0542 -2.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0064 -2.4539 -2.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8436 -1.2187 -1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6820 -1.0533 -3.2758 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 2 0 16 17 1 0 17 18 1 0 18 19 1 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 2 0 28 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 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 25 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 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 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 1 26102 1 0 26103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 46132 1 0 47133 1 0 47134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 66165 1 0 66166 1 0 67167 1 0 67168 1 0 67169 1 0 M END