HMDB0048993 RDKit 3D TG(16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)/18:3(6Z,9Z,12Z)) 155154 0 0 0 0 0 0 0 0999 V2000 -6.5599 2.0154 5.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7240 1.3397 4.7899 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1422 0.1166 5.5056 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1200 -1.0989 4.9816 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6627 -1.3673 3.5995 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5344 -2.3391 3.6228 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5634 -3.5262 3.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7184 -3.9570 2.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7351 -4.1739 0.8398 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7883 -4.0447 -0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3829 -3.6458 0.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1427 -2.3979 -0.6212 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6521 -1.2778 -0.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2517 -1.1563 1.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7927 -0.7956 1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3307 0.2648 1.9244 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1624 1.2382 2.6501 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8879 1.3396 4.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5152 1.6844 4.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5217 0.6606 4.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7202 0.9471 4.1042 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7417 -0.7143 4.1373 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2046 -1.6729 3.9030 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2794 -2.4413 2.6381 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4478 -1.5207 1.6188 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7073 -1.6131 0.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7991 -2.7868 -0.1646 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 -0.4312 -0.5806 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7668 -0.6879 -2.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0723 0.6542 -2.7248 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9408 0.5977 -4.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3679 1.8996 -4.7404 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6514 2.6997 -5.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7527 2.4704 -5.8005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7908 2.4498 -7.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 1.4519 -7.9747 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7870 0.2008 -7.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2216 0.0782 -7.7833 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1819 0.0265 -6.9147 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0569 0.0675 -5.4597 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7274 1.2721 -4.8116 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5010 1.1192 -3.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0760 2.2548 -2.5182 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4272 3.5634 -2.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5055 -2.5162 5.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2119 -1.7103 6.1355 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5403 -1.4352 5.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9190 -1.9662 4.6914 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4987 -0.6274 6.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7906 -0.5974 5.6917 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5541 0.1066 4.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7765 0.0010 3.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5187 0.7126 2.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7347 0.4778 1.3136 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6330 1.1344 -0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4412 0.6296 -0.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4977 -0.0252 -1.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7143 -0.3437 -2.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8358 0.2010 -4.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7642 -0.2473 -4.9405 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0904 0.3521 -6.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0454 -0.0540 -7.3406 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6738 0.4481 -6.9184 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7937 1.2394 5.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9811 2.4873 6.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1654 2.7699 4.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5414 1.1952 3.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5803 2.1083 4.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5084 0.2020 6.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4643 -1.9390 5.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5216 -1.7038 3.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2352 -0.4659 3.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6160 -2.0940 4.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6856 -4.1841 3.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6738 -3.4619 2.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9153 -5.0459 2.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7645 -4.5116 0.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0995 -4.2855 -1.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0215 -3.5708 1.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7152 -4.4149 -0.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3947 -2.3896 -1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5077 -0.3926 -0.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9098 -0.4203 1.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3185 -2.0931 1.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1452 -1.4885 0.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2288 0.4572 1.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2327 1.1472 2.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9029 2.2648 2.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1775 0.3116 4.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6122 2.0301 4.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4819 2.0125 5.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2633 2.6605 3.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1851 -1.0387 3.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5066 -3.1957 2.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2155 -3.0943 2.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2773 0.4436 -0.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 -0.0965 -0.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1715 -1.1176 -2.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5937 -1.3761 -2.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1643 0.9019 -2.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5188 1.4211 -2.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0523 0.2469 -4.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6421 -0.2255 -4.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4113 2.1903 -4.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0585 3.6788 -5.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3055 3.3981 -5.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2523 1.6284 -5.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4005 3.3594 -7.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2102 1.5644 -9.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 -0.6290 -8.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5594 0.0511 -6.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4244 0.0249 -8.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2048 -0.0601 -7.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0170 0.0857 -5.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5314 -0.8497 -4.9721 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8063 1.3048 -5.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2489 2.1897 -5.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0442 0.1983 -3.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4208 1.0571 -3.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1631 2.3587 -2.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8578 2.0552 -1.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9012 4.3831 -2.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3539 3.5428 -2.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4894 3.7757 -3.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4721 -2.7771 5.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0906 -3.4084 4.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7434 -0.9998 7.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2207 0.4378 6.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1809 -1.6171 5.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5300 -0.0272 6.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5480 1.2233 4.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6140 -0.0530 3.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0757 -1.0438 3.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6229 0.5374 3.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5749 0.3997 1.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4436 1.8174 2.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6117 0.8556 1.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9061 -0.6061 1.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5948 0.9618 -0.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4573 2.2287 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4432 0.8196 -0.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -0.3653 -2.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7186 -1.4835 -2.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6711 -0.1565 -2.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9575 1.2971 -3.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8053 -0.1812 -4.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7446 0.0620 -4.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7237 -1.3446 -5.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0585 -0.0246 -6.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1390 1.4421 -6.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0683 -1.1475 -7.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3154 0.3658 -8.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2474 1.0760 -7.7533 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9733 -0.3548 -6.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8406 1.1483 -6.0873 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 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 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 23 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 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 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 23 93 1 6 24 94 1 0 24 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 49127 1 0 49128 1 0 50129 1 0 50130 1 0 51131 1 0 51132 1 0 52133 1 0 52134 1 0 53135 1 0 53136 1 0 54137 1 0 54138 1 0 55139 1 0 55140 1 0 56141 1 0 57142 1 0 58143 1 0 58144 1 0 59145 1 0 59146 1 0 60147 1 0 60148 1 0 61149 1 0 61150 1 0 62151 1 0 62152 1 0 63153 1 0 63154 1 0 63155 1 0 M END