HMDB0053226 RDKit 3D TG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)) 167166 0 0 0 0 0 0 0 0999 V2000 1.3057 -0.0239 7.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5536 -0.0118 8.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3794 -1.1134 7.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5839 -0.9716 7.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2310 0.3453 7.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5440 0.5441 5.8831 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1039 1.4896 5.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1712 2.5451 5.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9123 3.8269 5.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4473 4.7774 4.6558 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1529 4.7153 3.9655 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2295 5.8308 4.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0682 5.6333 4.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 4.3227 5.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 4.0411 4.4675 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9153 2.9669 3.7584 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0735 1.8696 3.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5787 0.5725 4.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7968 0.1937 3.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4652 -0.1259 1.9258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7175 -0.4692 1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2415 -0.8669 -0.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9869 -1.0275 -0.4051 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0348 -1.0992 -1.3522 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3918 -1.5330 -2.5345 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6502 -0.6771 -3.7252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1394 0.6456 -3.6264 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2628 1.5233 -4.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8437 1.1510 -5.7239 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7043 2.9444 -4.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2444 2.8133 -4.8077 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5972 4.0227 -4.8708 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6044 4.9776 -3.7946 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6681 5.1293 -2.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8157 4.2840 -3.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2109 3.2898 -2.2222 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7639 3.0536 -1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7212 3.7060 -0.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5486 2.8257 -0.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6971 3.1816 -0.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9854 4.5617 -0.8462 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9199 5.2036 0.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0600 5.7657 -0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6452 5.8875 -1.4245 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0173 5.3432 -1.6241 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3012 3.9175 -1.3916 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0972 3.3970 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5034 1.9132 0.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8817 -2.9801 -2.8161 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6263 -3.6555 -1.5727 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9239 -4.9914 -1.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4083 -5.6160 -2.3417 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6989 -5.6648 -0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1420 -7.0816 -0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 -8.0540 -0.9019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0766 -8.4863 -0.5916 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0432 -7.6079 -0.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1654 -7.6119 -1.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3991 -8.5858 -2.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6399 -8.2302 -3.6545 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6652 -7.1081 -4.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4063 -5.7995 -3.6844 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2986 -5.0776 -4.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -3.9230 -4.9515 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 -3.3194 -4.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7696 -1.9967 -4.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0991 -1.2981 -4.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0846 -2.1310 -3.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3971 -1.3346 -3.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4386 0.4110 7.8799 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1224 -1.0787 7.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6025 0.5245 6.4527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1189 -0.3121 9.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9068 0.9935 8.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9135 -2.1257 7.9292 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2068 -1.8292 7.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2689 0.2611 7.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 1.1795 7.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2322 -0.2119 5.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3748 1.5923 4.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2554 2.4415 5.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0224 2.5096 6.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8900 3.9160 5.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1056 5.6627 4.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4333 4.9092 2.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6649 3.7504 3.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5740 6.8591 4.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4579 6.5465 4.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1641 3.5047 5.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2016 4.4495 6.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5353 4.8165 4.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8847 2.8743 3.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2711 1.6751 2.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9938 2.0248 4.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8591 0.7475 5.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1859 -0.2524 4.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2427 -0.7666 3.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5539 0.9803 3.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9948 0.7607 1.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7224 -0.9422 1.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3883 0.3927 1.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1707 -1.3503 1.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2852 -1.6256 -2.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1838 -1.1211 -4.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7664 -0.5919 -3.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 3.4104 -3.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1403 3.4882 -5.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1032 2.1140 -3.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 2.2214 -5.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0369 4.6432 -5.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 3.8574 -5.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2378 5.6304 -3.5751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6486 5.9167 -2.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7276 5.0032 -3.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7689 3.8109 -4.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0656 2.5988 -2.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2251 2.1631 -0.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5692 4.7496 -0.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1755 3.7379 0.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6939 1.7816 0.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5165 2.4526 -0.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4188 4.5041 -1.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0849 5.1631 -0.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5647 5.1670 1.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6406 6.1960 0.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9299 5.4952 -2.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7509 7.0177 -1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7151 5.9366 -0.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4253 5.6817 -2.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7140 3.2841 -2.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4083 3.7662 -1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7225 3.9207 0.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0418 3.3881 0.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5165 1.8875 -0.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6117 1.5285 1.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8416 1.3109 -0.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3108 -3.4069 -3.6482 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9647 -2.9609 -3.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7063 -5.5233 0.3407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3940 -5.1317 0.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2733 -7.1003 -0.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0978 -7.4440 1.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0818 -9.0076 -0.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5453 -7.7292 -1.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8999 -9.4343 -1.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1729 -8.9854 0.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0606 -6.8068 0.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9617 -6.8497 -0.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5628 -9.3750 -2.3156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2673 -9.2941 -1.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8671 -9.1432 -4.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9014 -7.1311 -5.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2498 -5.2025 -3.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8713 -6.0108 -2.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6775 -5.5507 -4.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1919 -3.3457 -5.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1304 -2.9766 -5.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7610 -3.9106 -4.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1011 -1.3069 -4.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3062 -2.1546 -3.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 -0.3767 -3.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5367 -0.9922 -4.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7095 -2.2238 -2.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3524 -3.0863 -3.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0189 -1.8363 -2.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9540 -1.3940 -4.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1427 -0.2988 -2.8232 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 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 25 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 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 1 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 1 26104 1 0 26105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 48134 1 0 48135 1 0 48136 1 0 49137 1 0 49138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 61152 1 0 62153 1 0 62154 1 0 63155 1 0 64156 1 0 65157 1 0 65158 1 0 66159 1 0 66160 1 0 67161 1 0 67162 1 0 68163 1 0 68164 1 0 69165 1 0 69166 1 0 69167 1 0 M END