HMDB0047983 RDKit 3D TG(14:1(9Z)/20:1(11Z)/22:1(13Z)) 173172 0 0 0 0 0 0 0 0999 V2000 -4.2581 7.8681 -3.8434 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1091 6.3874 -3.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0902 5.6992 -4.8355 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7554 4.2067 -4.6972 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5729 3.3347 -5.5338 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3447 2.3983 -5.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4969 2.1017 -3.6204 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0487 0.6759 -3.2971 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8179 -0.3778 -4.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2491 -1.7286 -3.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7750 -1.8582 -3.9235 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5168 -1.7219 -5.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0942 -1.7709 -5.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3613 -3.0154 -5.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9374 -3.9960 -4.9426 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0191 -3.1570 -5.7264 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1703 -4.1956 -5.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0227 -4.6922 -4.0814 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9116 -5.8435 -4.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1693 -6.5334 -2.9643 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0627 -7.5958 -3.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5689 -7.8502 -4.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4831 -8.4461 -1.9638 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7851 -8.1790 -0.6632 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3973 -9.1497 0.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 -9.0265 1.6996 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9538 -7.6526 2.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4092 -7.2182 2.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3599 -5.8173 2.9971 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7358 -5.2343 3.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7074 -3.8696 3.7397 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8435 -2.9071 2.9562 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8634 -1.5234 3.6274 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9855 -0.6621 2.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9247 -0.0473 3.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4858 -0.1558 4.6892 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4986 1.2443 5.2946 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 1.1183 6.7656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0454 2.4526 7.4241 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6616 2.4515 8.8386 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5014 1.8591 9.8735 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9009 0.4294 9.8532 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6873 0.1980 11.1813 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4178 -3.6725 -3.1937 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4096 -3.2573 -2.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5226 -3.8053 -2.0503 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0134 -2.2275 -1.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0774 -1.8088 -0.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2577 -1.2073 -0.9509 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8755 0.0628 -1.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3911 1.1060 -0.7791 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 2.3691 -1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2336 2.4588 -2.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4396 1.6299 -3.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8069 2.0978 -4.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8217 1.9238 -3.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5657 2.9058 -2.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4474 4.2797 -3.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0555 5.2967 -2.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0638 5.3644 -0.9298 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6302 6.4269 0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6264 6.5172 1.1865 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2590 7.5694 2.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9224 7.3122 2.8384 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9425 5.9697 3.5533 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4917 8.3236 -4.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2609 8.2497 -4.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9139 8.1975 -2.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0875 6.0828 -4.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2272 5.8908 -2.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1332 5.9155 -4.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7785 6.0044 -5.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7064 4.1496 -5.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6196 3.9210 -3.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5659 3.4374 -6.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9341 1.7730 -5.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0676 2.7915 -2.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6110 2.0958 -3.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1077 0.4784 -2.2117 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9739 0.5693 -3.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8923 -0.4019 -3.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7781 -0.2740 -5.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7583 -2.5434 -4.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4744 -1.8855 -2.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1726 -1.1862 -3.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5278 -2.9330 -3.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9369 -0.7587 -5.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0540 -2.5336 -5.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5005 -0.8883 -5.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0497 -1.7108 -6.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8588 -3.8937 -5.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3909 -5.1182 -6.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0155 -5.0357 -3.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5702 -6.5296 -4.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8944 -5.4456 -4.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3824 -9.5275 -2.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5734 -8.3136 -1.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0299 -7.1509 -0.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6999 -8.2790 -0.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4944 -8.9810 0.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2596 -10.1672 -0.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7658 -9.3808 1.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3785 -9.7159 2.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3551 -6.8897 1.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5708 -7.6855 3.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9589 -7.9007 3.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8208 -7.1261 1.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9276 -5.9406 4.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7084 -5.2109 2.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1747 -5.1428 2.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3872 -5.8869 3.7255 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7567 -3.5182 3.8062 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3212 -3.9527 4.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8032 -3.2686 2.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2527 -2.8344 1.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6507 -1.6534 4.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9142 -1.1467 3.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2345 -0.5151 1.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3284 0.5780 2.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9941 -0.8768 5.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3895 -0.4501 4.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4893 1.7224 5.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7336 1.8173 4.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6582 0.3813 7.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 0.7351 6.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3397 3.1478 6.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0481 2.9587 7.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3777 1.9844 8.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4621 3.5399 9.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9924 2.0109 10.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4587 2.4820 10.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0541 -0.2440 9.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6824 0.1958 9.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2524 -0.7372 11.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3107 1.0568 11.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8898 0.0984 11.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8929 -2.5926 -0.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3785 -1.2855 -1.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4605 -2.7432 0.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7329 -1.1469 0.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9604 -0.8651 -0.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7806 -1.9436 -1.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2366 -0.1138 -2.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8680 0.4092 -2.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1412 1.2466 0.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4852 0.7184 -0.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8245 2.8598 -1.9785 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8231 3.1092 -0.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2751 3.5475 -2.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1669 2.4515 -1.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6785 0.5504 -3.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3481 1.7006 -4.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0028 1.3480 -4.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6126 3.0891 -4.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9595 0.9206 -2.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3183 2.7230 -1.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9324 4.4145 -4.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5342 4.5733 -3.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0477 6.3139 -2.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0085 5.1416 -1.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0375 5.6318 -1.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1793 4.4150 -0.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 6.1635 0.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5299 7.4190 -0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6137 6.7817 0.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6908 5.5380 1.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2630 8.5976 1.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0281 7.5598 3.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1389 7.2896 2.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7196 8.1243 3.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9841 5.8174 4.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9526 5.1664 2.7737 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7958 5.8466 4.2287 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 1 0 33 34 1 0 34 35 2 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 18 44 1 0 44 45 1 0 45 46 2 0 45 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 53 54 1 0 54 55 1 0 55 56 1 0 56 57 2 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 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 1 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 32115 1 0 33116 1 0 33117 1 0 34118 1 0 35119 1 0 36120 1 0 36121 1 0 37122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 39127 1 0 40128 1 0 40129 1 0 41130 1 0 41131 1 0 42132 1 0 42133 1 0 43134 1 0 43135 1 0 43136 1 0 47137 1 0 47138 1 0 48139 1 0 48140 1 0 49141 1 0 49142 1 0 50143 1 0 50144 1 0 51145 1 0 51146 1 0 52147 1 0 52148 1 0 53149 1 0 53150 1 0 54151 1 0 54152 1 0 55153 1 0 55154 1 0 56155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 62165 1 0 62166 1 0 63167 1 0 63168 1 0 64169 1 0 64170 1 0 65171 1 0 65172 1 0 65173 1 0 M END