HMDB0048217 RDKit 3D TG(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)/20:2n6) 165164 0 0 0 0 0 0 0 0999 V2000 6.4043 1.1390 3.9155 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2267 -0.3723 3.9976 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5994 -0.9900 4.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5321 -2.5161 4.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8912 -3.0182 2.9843 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7987 -3.7309 3.0076 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0358 -4.1486 4.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6038 -3.5996 4.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7441 -4.0502 5.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3320 -3.5119 5.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4257 -4.0331 6.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -5.5011 6.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5479 -6.0611 4.9585 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0703 -5.9570 3.6486 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2903 -6.1246 3.4341 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 -5.6390 2.5173 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0439 -5.5061 1.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0659 -5.2428 0.1854 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9491 -4.0979 0.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7972 -3.7466 -0.4344 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7048 -4.5026 -1.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8118 -5.7198 -0.6948 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5451 -4.0645 -2.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4750 -2.6416 -2.5948 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0851 -2.2031 -2.9743 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0608 -0.7788 -3.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6378 0.1944 -2.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6098 1.5839 -3.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2140 2.1104 -3.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4501 2.2233 -2.0438 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0838 2.8012 -2.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6911 1.9385 -3.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1974 2.2727 -4.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0711 3.6187 -4.9445 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4373 3.3954 -6.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6816 3.9761 -6.6091 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5401 4.9032 -5.8835 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7205 6.2227 -6.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4687 6.9958 -6.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1958 7.4441 -5.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7337 8.3387 -4.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4145 -4.9247 -0.9905 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3748 -5.6593 -2.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9364 -6.7538 -2.1919 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3722 -5.0906 -3.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6342 -3.6432 -3.0876 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5675 -3.3147 -1.9639 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5286 -1.8047 -1.8104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4466 -1.2648 -0.7711 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2491 -1.8475 0.5557 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8934 -1.2473 1.6615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6223 0.2050 1.6828 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5561 0.9937 2.4907 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1988 1.6637 3.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8257 1.7219 4.0575 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3433 3.0953 3.9938 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7425 3.5141 3.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6459 2.5463 2.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9270 2.7002 3.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0377 3.0338 2.9379 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2706 3.3050 1.5356 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3268 2.4839 0.8786 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1614 1.0159 0.8921 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1965 0.3064 2.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0143 -1.2064 1.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9191 1.5271 2.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4793 1.4182 3.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8632 1.6594 4.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6065 -0.5689 4.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7306 -0.7099 3.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2554 -0.6748 3.2796 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0670 -0.6271 5.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0342 -2.7603 5.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6053 -2.8613 4.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 -2.7796 1.9972 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3891 -4.0652 2.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8970 -5.2703 4.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4616 -3.9149 5.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6195 -2.5126 3.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1387 -4.0131 3.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7861 -5.1238 5.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1732 -3.5565 6.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4653 -2.3888 5.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9701 -3.6285 4.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 -3.6787 7.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5828 -3.5124 5.9673 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1305 -6.0840 6.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4678 -5.7123 7.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6982 -7.1667 5.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5898 -5.5981 4.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5926 -4.6051 1.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4983 -6.4442 1.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7003 -6.1706 0.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6141 -4.3928 1.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3416 -3.2635 0.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6015 -4.3510 -1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3096 -4.6974 -3.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8433 -2.0430 -1.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1305 -2.4704 -3.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4797 -2.1659 -2.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6662 -2.8818 -3.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0056 -0.5044 -3.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 -0.7857 -4.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0215 0.1423 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6810 -0.0540 -2.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1413 2.2806 -2.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1596 1.6071 -4.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3014 3.1397 -3.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 1.4671 -4.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3259 1.2405 -1.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0429 2.8816 -1.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4509 2.7916 -1.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2461 3.8373 -2.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8544 0.8938 -2.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7641 1.4848 -4.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1301 3.9854 -5.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5204 4.3414 -4.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9506 2.7023 -7.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0311 3.6986 -7.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5525 4.4154 -5.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2178 5.1413 -4.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 5.9260 -7.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5541 6.8315 -6.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7176 7.8988 -7.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2495 6.3590 -7.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5839 6.6403 -4.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0623 8.0773 -5.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7596 9.3662 -5.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7623 7.9467 -4.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3249 8.4104 -3.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3197 -5.6307 -3.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2334 -5.2012 -4.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9885 -3.1639 -4.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3744 -3.1475 -2.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6072 -3.5949 -2.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4537 -3.8337 -1.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7762 -1.3660 -2.7917 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4813 -1.4930 -1.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4945 -1.6299 -1.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4444 -0.1759 -0.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4376 -2.9564 0.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7991 -1.8567 2.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6996 0.5985 0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5458 0.4063 1.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6297 0.9979 2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 2.2587 4.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1691 0.9113 3.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9773 1.5546 5.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9764 3.8578 4.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0303 4.5552 3.4123 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7472 2.7941 1.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3873 1.5038 2.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8906 2.5202 4.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9321 3.1249 3.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7071 4.3770 1.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3698 3.4397 0.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3450 2.6788 1.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5347 2.8587 -0.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2481 0.6879 0.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0200 0.5965 0.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4796 0.5662 2.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2377 0.3723 2.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5658 -1.6917 2.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9873 -1.6384 1.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3321 -1.2974 1.0720 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 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 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 18 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 2 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 62 63 1 0 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 3 72 1 0 4 73 1 0 4 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 9 82 1 0 10 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 12 88 1 0 13 89 1 0 13 90 1 0 17 91 1 0 17 92 1 0 18 93 1 6 19 94 1 0 19 95 1 0 23 96 1 0 23 97 1 0 24 98 1 0 24 99 1 0 25100 1 0 25101 1 0 26102 1 0 26103 1 0 27104 1 0 27105 1 0 28106 1 0 28107 1 0 29108 1 0 29109 1 0 30110 1 0 30111 1 0 31112 1 0 31113 1 0 32114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 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 41130 1 0 45131 1 0 45132 1 0 46133 1 0 46134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 1 0 50141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 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 65165 1 0 M END