HMDB0055528 RDKit 3D TG(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 167166 0 0 0 0 0 0 0 0999 V2000 -7.8722 -3.9698 -0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5335 -2.9458 1.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7915 -2.4859 1.6658 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1806 -1.2580 1.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4480 -0.0670 1.1478 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3594 0.4290 0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9280 0.6212 -1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6416 0.4945 -1.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5783 -0.5807 -2.7843 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5944 -1.4082 -2.9659 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2848 -1.5351 -2.3213 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0687 -2.7771 -1.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5099 -2.9137 -0.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9608 -1.8290 0.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4975 -1.6016 1.7246 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9307 -0.4489 2.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9010 0.7523 1.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0016 1.7894 1.8841 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9726 2.2679 1.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5823 1.8555 -0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2513 1.1959 -0.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 2.0313 0.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0222 1.6409 -0.1667 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1563 3.1673 0.9885 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0258 3.8379 1.3431 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1071 5.2864 1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8824 5.7533 -0.1879 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4796 5.2580 -1.3479 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 4.2896 -1.1921 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1302 5.9372 -2.5967 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4530 5.1895 -3.8232 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8741 4.7588 -3.9618 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1304 4.1003 -5.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2467 2.9912 -5.6393 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5961 1.7668 -5.8468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9969 1.2725 -5.7731 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9711 0.1808 -4.7671 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6349 0.1586 -3.6496 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5513 1.2453 -3.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8968 0.6371 -2.9692 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 0.6072 -1.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8475 1.2102 -0.6071 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6651 0.1361 0.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2060 0.2356 1.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0240 1.3372 2.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3363 1.9518 3.3415 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2543 3.5576 2.8567 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1249 4.0398 3.5323 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0299 3.9241 4.8977 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8739 3.3751 5.5665 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2921 4.4645 5.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4483 3.5366 5.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2083 2.1473 5.6308 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0995 2.0607 7.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8309 0.6132 7.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5343 0.1571 7.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4524 -0.8598 6.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5302 -1.7077 5.6757 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4146 -3.1172 6.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2571 -4.1187 5.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1631 -3.9687 3.8007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1027 -4.5444 3.3762 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0255 -3.8560 2.7734 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8981 -2.4805 2.4707 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9141 -1.8910 1.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9866 -2.4291 -0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 -3.8884 -0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1308 -4.1950 -1.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -4.6984 -2.3371 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3605 -5.0273 -2.9574 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4145 -6.5263 -3.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6398 -4.6967 0.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2792 -3.4607 -0.9785 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0055 -4.5634 -0.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9168 -3.4569 1.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9769 -2.1128 0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4500 -3.2428 2.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1472 -1.0464 2.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5029 -0.3189 0.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3683 0.6741 1.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4304 0.6266 0.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7519 0.9754 -1.8457 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8235 0.4225 -1.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3803 1.4484 -2.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4699 -0.6851 -3.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7671 -2.2014 -3.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1768 -0.6226 -1.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4890 -1.3853 -3.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4180 -3.7071 -2.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4659 -3.9729 -0.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8558 -2.1537 0.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8292 -0.9609 -0.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5427 -2.4867 2.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3458 -0.3076 3.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9430 1.2321 1.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8255 0.6721 0.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2203 2.1536 2.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3349 3.0480 1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3686 1.3512 -0.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4549 2.8418 -0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2496 0.1750 0.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0243 0.9440 -1.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8777 3.2774 0.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1283 5.7064 1.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4239 5.8607 1.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5555 6.9809 -2.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0048 6.0740 -2.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1522 5.7801 -4.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 4.2563 -3.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5086 5.6939 -3.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1818 4.0755 -3.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9989 4.9509 -6.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2161 3.8840 -5.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1507 3.2360 -5.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8444 1.0187 -6.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2969 0.8557 -6.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7456 2.0116 -5.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3366 -0.7195 -4.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5532 -0.7018 -2.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1003 1.7475 -2.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 1.9665 -4.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4246 0.1810 -3.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4936 0.1651 -1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5880 1.9624 -0.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 1.7138 -0.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -0.7512 0.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0343 -0.6019 2.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9698 0.8433 2.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3203 2.1154 1.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4694 2.5367 3.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9335 1.0942 3.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0700 2.5226 3.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1592 4.0789 3.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4002 2.4739 3.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2522 4.5400 6.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5570 5.4592 5.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6338 3.5098 4.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3941 3.9109 5.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9949 1.4301 5.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2362 1.7947 5.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9811 2.4715 7.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2079 2.6786 7.4289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7049 0.0084 7.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8063 0.6768 8.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3881 0.7023 7.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5747 -1.1180 5.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6758 -1.5384 4.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4956 -1.3657 6.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4736 -3.2958 7.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1879 -5.1343 5.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9457 -4.7323 3.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5058 -3.0533 3.3779 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2721 -5.6139 3.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9834 -4.3682 2.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1201 -1.9326 3.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8467 -1.9924 2.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8528 -0.7399 1.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9854 -1.7643 -0.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 -4.5299 0.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9664 -4.1659 -0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1147 -3.9958 -0.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8163 -4.9088 -2.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3848 -4.4532 -3.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2800 -4.7846 -2.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1489 -6.6396 -4.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7672 -7.1156 -2.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3965 -6.8789 -3.5599 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 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 25 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 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 2 0 60 61 1 0 61 62 1 0 62 63 2 0 63 64 1 0 64 65 1 0 65 66 2 0 66 67 1 0 67 68 1 0 68 69 2 0 69 70 1 0 70 71 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 19 98 1 0 20 99 1 0 20100 1 0 21101 1 0 21102 1 0 25103 1 6 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 33113 1 0 34114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 46132 1 0 47133 1 0 47134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 60150 1 0 61151 1 0 61152 1 0 62153 1 0 63154 1 0 64155 1 0 64156 1 0 65157 1 0 66158 1 0 67159 1 0 67160 1 0 68161 1 0 69162 1 0 70163 1 0 70164 1 0 71165 1 0 71166 1 0 71167 1 0 M END