HMDB0049032 RDKit 3D TG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z)) 169168 0 0 0 0 0 0 0 0999 V2000 -6.5739 3.5153 -0.8431 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6724 2.5990 -1.6689 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1345 1.2254 -1.5617 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5222 0.1803 -1.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1884 0.0726 -0.5265 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3586 1.2440 -0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2230 1.4341 -0.9575 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6266 0.4860 -1.9336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4741 1.2452 -3.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3368 1.5227 -3.8263 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9349 1.1187 -3.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9545 0.4039 -4.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0818 -0.0677 -5.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0814 0.0051 -6.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9718 -1.2742 -6.9946 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0236 -2.0416 -7.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4007 -1.9068 -6.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 -3.2010 -6.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0679 -3.5622 -4.8389 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1447 -2.6324 -3.7133 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2615 -3.1685 -2.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1745 -3.2939 -2.9542 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6121 -2.6718 -3.9442 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0205 -4.0705 -2.2088 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3835 -4.2347 -2.4233 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1689 -4.3581 -1.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9938 -3.2783 -0.2833 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2994 -1.9527 -0.5398 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8016 -1.7050 -1.6551 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0388 -0.8729 0.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2945 0.4828 -0.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9193 1.5504 0.8987 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1223 2.9304 0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 3.9483 1.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7896 5.3811 0.7957 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9785 5.4875 -0.5083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 6.8569 -0.9922 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 7.5943 -1.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4064 7.1150 -0.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 7.1491 -2.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3377 8.3909 -2.9599 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1994 9.5027 -2.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2512 10.2579 -1.4002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8251 9.4722 -0.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5194 -5.6741 -3.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8934 -6.4940 -2.1197 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7533 -7.8520 -2.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2337 -8.5242 -3.0593 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9933 -8.4684 -0.9949 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2073 -7.3982 -0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5825 -8.0059 0.8499 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3854 -6.8587 1.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1883 -7.4494 2.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1367 -6.6117 3.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7507 -5.4194 4.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1986 -4.2567 3.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9056 -3.0934 4.4046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9747 -3.4452 5.4492 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1786 -2.8640 5.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7169 -1.7591 4.8537 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9144 -0.5301 5.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.5638 4.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7129 1.8324 5.6551 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6335 1.6073 6.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9925 1.1196 6.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7930 0.9374 7.7114 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1859 0.4461 7.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2679 4.5809 -0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4838 3.3045 0.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6235 3.3486 -1.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6604 2.7878 -1.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8587 2.9632 -2.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1810 1.0728 -1.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1530 -0.7591 -1.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6329 -0.8307 -0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3779 -0.3495 0.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6835 2.0265 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6508 2.3446 -0.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 -0.3785 -2.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 0.0671 -1.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4401 1.5835 -3.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4774 2.1379 -4.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4168 2.1518 -2.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7694 0.6974 -2.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8853 0.2058 -3.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0613 -0.6118 -5.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 0.7377 -7.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 0.3368 -5.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9256 -1.6359 -7.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1073 -2.9830 -7.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5058 -1.0516 -5.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1073 -1.7240 -7.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7301 -4.0463 -6.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3078 -4.6218 -4.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1643 -2.4507 -3.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7298 -1.6265 -3.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6569 -4.1793 -2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3702 -2.5324 -1.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8324 -3.6104 -3.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2191 -4.5398 -1.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8198 -5.2678 -0.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0665 -0.9374 0.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8185 -1.0287 1.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7928 0.6937 -1.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3904 0.6605 -0.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5468 1.4583 1.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8455 1.4138 1.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4899 2.9794 -0.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1775 3.1066 0.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5639 3.7918 1.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1591 3.8225 2.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8316 5.6482 0.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2887 6.0462 1.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 4.8420 -1.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0431 4.9588 -0.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0275 7.2706 -1.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0338 8.6434 -1.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8196 7.8006 -0.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4523 6.1145 -0.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6429 6.4144 -2.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1792 6.6612 -2.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2694 8.8653 -3.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5306 8.1535 -4.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0554 10.3163 -3.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2851 9.1954 -2.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2369 10.6653 -1.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8908 11.1859 -1.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1943 9.4977 0.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8371 9.8966 0.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0089 8.4255 -0.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1156 -5.6669 -4.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5922 -5.9211 -3.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6754 -8.9660 -0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2676 -9.2048 -1.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5146 -6.9086 -0.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8666 -6.5915 0.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0795 -8.4960 1.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3165 -8.7209 0.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5868 -6.1795 1.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9386 -6.3009 0.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4629 -7.8733 3.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7213 -8.3842 2.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9785 -6.3018 2.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7511 -7.3291 4.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0578 -5.7773 4.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6878 -5.0595 4.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9902 -3.8466 2.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3374 -4.4640 2.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8815 -2.7472 4.8334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5638 -2.2729 3.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2446 -4.2674 6.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8225 -3.2190 6.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1505 -1.4400 3.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7424 -2.0474 4.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 -0.2122 6.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6598 -0.7713 6.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4722 0.2228 4.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8453 0.8027 4.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1845 2.6055 5.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7484 2.2376 6.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7335 2.5971 7.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1633 0.9236 7.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5279 1.8382 5.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9060 0.1616 5.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2609 0.2028 8.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8215 1.9427 8.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9193 1.2477 7.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2201 -0.3436 6.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5001 -0.0680 8.4395 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 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 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 1 0 41 42 1 0 42 43 1 0 43 44 1 0 25 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 2 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 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 6 26100 1 0 26101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 44130 1 0 45131 1 0 45132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 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