HMDB0045367 RDKit 3D TG(18:0/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 173172 0 0 0 0 0 0 0 0999 V2000 -3.8905 -0.8806 -5.8051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5043 0.3843 -5.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7025 1.2033 -5.9365 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0081 2.4277 -6.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1776 3.1424 -5.9616 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1684 4.3767 -5.2239 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2200 5.0838 -4.7751 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7595 4.8460 -4.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1368 6.0336 -5.5636 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4070 5.9476 -6.6106 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0042 4.7218 -7.3607 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4966 4.6994 -7.4441 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3206 3.8314 -7.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9092 2.5628 -6.3416 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 1.4376 -7.1581 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3756 0.6062 -6.6701 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8614 0.6823 -5.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6453 -0.5820 -4.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2011 -0.9757 -4.4633 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0066 -2.2351 -3.6211 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3451 -1.9937 -2.1812 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3754 -0.9968 -1.5839 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3452 -0.6756 -2.1917 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6606 -0.4604 -0.3605 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8843 0.4451 0.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5685 1.6890 -0.3868 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8134 2.4082 -0.9386 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5431 2.9822 0.1199 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7104 3.7056 -0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1757 3.8903 -1.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4335 4.2828 1.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7808 3.1264 2.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7177 2.1384 1.3469 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8594 1.0035 2.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7820 -0.0591 1.9303 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8765 -1.2314 2.8018 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2926 -1.1662 4.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4812 -0.4068 5.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0486 -0.8725 5.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8945 -2.2929 5.6969 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4075 -2.6069 5.6449 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6114 -1.6943 6.5159 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1068 -2.0897 6.3922 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2859 -1.1706 7.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1743 -1.3584 7.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7137 -2.6605 7.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3631 -3.8434 6.8404 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1609 2.6605 0.2964 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3725 3.1579 -0.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7421 2.6222 -1.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1518 4.1887 0.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2235 3.8207 1.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3834 3.0278 0.9447 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2783 1.5962 0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8066 0.7673 1.7923 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7825 -0.7344 1.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1083 -1.1627 0.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3507 -1.7152 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2677 -1.9878 -1.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3240 -3.4641 -1.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3537 -4.2500 -1.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0686 -3.8243 -0.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -4.2758 -1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -5.0528 -0.9567 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0295 -5.5337 0.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0291 -6.9959 0.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8834 -7.7318 1.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 -7.2343 1.7926 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0485 -7.6687 3.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1382 -1.1306 -6.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8066 -0.5709 -6.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1981 -1.7063 -5.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4414 0.8075 -4.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9069 0.0051 -4.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7464 0.8022 -6.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3187 2.8869 -7.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9165 2.4519 -5.4368 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8162 3.3096 -6.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2139 4.8350 -4.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4820 6.0561 -4.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4354 3.8855 -5.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3627 4.9479 -3.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3498 7.0389 -5.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0063 6.9039 -7.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4111 4.7072 -8.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3547 3.8320 -6.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9048 5.6016 -7.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 3.9395 -7.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8075 2.3790 -6.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1805 2.5033 -5.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1317 1.3818 -8.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7629 -0.1808 -7.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0101 0.8342 -5.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5252 1.5177 -4.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0122 -0.4025 -3.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2801 -1.3929 -4.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8433 -1.1451 -5.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6423 -0.1348 -3.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9633 -2.5402 -3.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6793 -2.9999 -4.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1980 -2.9427 -1.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3522 -1.6324 -2.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3338 0.6313 1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1037 -0.0757 0.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 1.3892 -1.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4184 1.6060 -1.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4506 3.1680 -1.6411 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7624 4.9688 1.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3562 4.7810 0.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3548 3.4850 2.9358 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9087 2.5926 2.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1768 1.7279 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6845 2.5973 1.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3436 1.5493 3.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8272 0.6890 2.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8093 0.3587 1.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4512 -0.4149 0.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9269 -1.8432 2.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6379 -1.9367 2.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3468 -2.2330 4.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3319 -0.7354 4.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9074 -0.7369 6.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5501 0.6629 5.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5837 -0.2149 6.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4439 -0.7062 4.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2425 -2.3940 6.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4802 -2.9639 5.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0240 -2.4631 4.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2471 -3.6858 5.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6386 -0.6684 6.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8824 -1.7752 7.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0546 -3.1352 6.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 -2.1321 5.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5008 -0.1235 6.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6639 -1.1542 8.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5516 -1.2039 6.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7084 -0.5125 7.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -2.8476 8.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8413 -2.6012 7.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9971 -3.5862 5.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3051 -4.4547 6.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6815 -4.5557 7.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4548 4.8887 1.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5249 4.9241 -0.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6446 4.8130 1.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6942 3.3403 2.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8528 3.5330 0.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2339 3.1294 1.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3629 1.2695 0.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7640 1.3272 -0.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5574 0.8646 2.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8372 1.0688 2.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9257 -0.9435 0.8229 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6061 -1.2553 2.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9492 -0.9925 1.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3887 -2.0045 -0.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6629 -1.4944 -2.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3055 -1.5949 -0.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2515 -3.9034 -1.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4644 -5.3367 -1.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0691 -4.3347 0.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0106 -2.7354 -0.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9738 -3.9480 -2.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7963 -5.3873 -1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0908 -5.2101 0.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6101 -5.0407 1.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8801 -7.5345 0.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7403 -8.8460 1.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0025 -7.6804 1.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1590 -6.1665 1.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7865 -7.1122 3.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0144 -7.4822 3.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2682 -8.7504 3.3070 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 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 1 0 45 46 1 0 46 47 1 0 26 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 2 0 58 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 63 64 2 0 64 65 1 0 65 66 1 0 66 67 2 0 67 68 1 0 68 69 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 20 99 1 0 20100 1 0 21101 1 0 21102 1 0 25103 1 0 25104 1 0 26105 1 6 27106 1 0 27107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 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 45136 1 0 45137 1 0 46138 1 0 46139 1 0 47140 1 0 47141 1 0 47142 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 58156 1 0 59157 1 0 59158 1 0 60159 1 0 61160 1 0 62161 1 0 62162 1 0 63163 1 0 64164 1 0 65165 1 0 65166 1 0 66167 1 0 67168 1 0 68169 1 0 68170 1 0 69171 1 0 69172 1 0 69173 1 0 M END