HMDB0053004 RDKit 3D TG(18:3(6Z,9Z,12Z)/20:1(11Z)/22:4(7Z,10Z,13Z,16Z)) 175174 0 0 0 0 0 0 0 0999 V2000 -4.0181 7.1732 0.7674 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5395 7.4910 0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0385 8.0441 2.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1878 7.1755 3.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4643 5.8408 3.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7362 5.1505 4.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3478 4.0142 4.4656 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8321 3.2984 3.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3105 3.1935 3.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9873 2.0926 3.4893 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3129 0.7460 3.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5855 0.0257 4.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2677 -1.0788 4.7633 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8506 -1.7407 3.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4149 -3.1289 3.4181 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7740 -3.6542 2.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3633 -2.9280 1.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9212 -2.8710 0.8729 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2315 -4.1340 0.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1127 -5.1902 1.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3676 -4.7187 2.8058 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0621 -4.4323 2.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4541 -4.9452 1.3863 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9236 -3.6970 3.2114 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2524 -3.5260 2.8678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5642 -2.9821 1.5348 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1144 -3.0781 1.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5448 -2.8771 0.1132 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3018 -3.6750 -0.9667 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6140 -4.7209 -0.7910 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8312 -3.3216 -2.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3781 -1.9564 -2.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5357 -1.6753 -1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9777 -0.1975 -1.7807 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0972 0.1228 -0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1385 1.0655 0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9503 1.9196 0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3289 3.3243 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2673 4.2411 0.9089 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8791 4.2503 2.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5263 3.0693 3.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3535 2.8288 3.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2311 3.7452 3.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7115 4.2380 4.8228 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2697 3.1275 5.7058 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1689 2.2632 5.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9509 3.1215 4.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1557 -1.7232 1.1827 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4773 -1.4192 0.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1712 -2.3001 -0.7795 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1912 0.0028 -0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7163 0.4252 -1.5604 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6786 -0.0328 -2.6068 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4204 0.5542 -3.9333 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1448 0.4815 -4.6321 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4027 -0.8735 -4.9166 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6601 -0.6959 -5.8084 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6808 0.1457 -5.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4111 -0.3773 -3.9772 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3369 -1.4683 -4.2974 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4271 -2.6814 -3.8722 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5020 -3.2468 -2.8786 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9257 -4.5508 -3.5063 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2153 -4.3049 -4.7707 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7129 -5.4071 -5.5871 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7594 -6.4135 -5.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1636 -7.3303 -4.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0427 -8.3571 -3.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2305 -7.7026 -3.3175 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5464 7.6732 1.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1235 6.0724 0.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5194 7.5535 -0.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3892 8.2715 -0.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9205 6.6232 0.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0196 8.4287 1.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6544 8.9714 2.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2762 6.8981 3.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 7.6820 4.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3558 6.1598 3.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5826 5.3077 2.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4005 5.6285 5.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5354 3.5300 5.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2982 2.3384 3.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5841 3.7886 2.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9155 4.1261 3.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0989 2.1027 3.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8046 0.2129 2.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2541 0.8067 3.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1727 0.4766 5.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4270 -1.5568 5.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9477 -1.1653 2.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9716 -1.8561 3.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6639 -3.8112 4.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5821 -4.7243 2.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7780 -1.8797 1.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9264 -3.4205 0.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7765 -2.1446 0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4017 -2.3112 1.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2248 -3.9201 0.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7984 -4.6121 -0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3778 -5.9773 1.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9679 -5.7556 1.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3508 -5.5944 3.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8334 -3.8845 3.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7686 -4.5132 3.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7452 -2.8365 3.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2266 -3.6799 0.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5978 -2.3702 2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3444 -4.1120 1.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0408 -3.5248 -3.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6376 -4.0626 -2.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7356 -1.8275 -3.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5736 -1.1780 -2.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4098 -2.2898 -1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3985 -1.8227 -0.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0621 0.3547 -1.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3168 -0.2626 -2.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0119 -0.4948 -1.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0616 1.2104 0.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5027 1.6980 1.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1923 1.6379 -0.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6797 3.5796 -1.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5921 5.2641 0.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8352 4.6395 2.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1995 5.1331 2.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2824 2.2605 3.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1578 1.8921 4.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3589 3.1609 3.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3505 4.6478 2.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5297 4.7801 5.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8753 4.9352 4.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1107 2.5358 6.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8051 3.6257 6.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9019 1.5386 5.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4700 1.7589 4.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9094 3.3092 3.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9571 4.0598 5.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0393 2.5037 5.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1116 0.5981 0.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3712 0.2679 0.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3109 0.0476 -1.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6530 1.5459 -1.5299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 -1.1595 -2.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7065 0.2806 -2.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2709 0.1031 -4.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7718 1.6645 -3.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6269 1.0037 -3.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2267 1.0857 -5.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3530 -1.4959 -5.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7417 -1.3321 -3.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0559 -1.6745 -6.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2543 -0.2474 -6.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3550 1.2122 -5.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5061 0.2783 -5.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7306 -0.6285 -3.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0526 0.4544 -3.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1094 -1.1663 -5.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2381 -3.3450 -4.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0291 -3.5454 -1.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6549 -2.5923 -2.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7936 -5.2148 -3.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2471 -4.9498 -2.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4014 -3.5513 -4.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9618 -3.7344 -5.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6534 -5.9613 -5.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3129 -4.9438 -6.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3803 -7.0503 -5.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1855 -5.8998 -4.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4073 -6.9084 -3.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0305 -7.9558 -4.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0698 -9.0455 -4.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -8.9658 -2.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1046 -6.6525 -3.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6775 -8.2528 -2.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9869 -7.7516 -4.1327 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 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 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 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 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 26 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 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 63 64 1 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 3 76 1 0 4 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 18 98 1 0 19 99 1 0 19100 1 0 20101 1 0 20102 1 0 21103 1 0 21104 1 0 25105 1 0 25106 1 0 26107 1 6 27108 1 0 27109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 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 39123 1 0 40124 1 0 40125 1 0 41126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 46134 1 0 46135 1 0 47136 1 0 47137 1 0 47138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 1 0 57152 1 0 58153 1 0 58154 1 0 59155 1 0 59156 1 0 60157 1 0 61158 1 0 62159 1 0 62160 1 0 63161 1 0 63162 1 0 64163 1 0 64164 1 0 65165 1 0 65166 1 0 66167 1 0 66168 1 0 67169 1 0 67170 1 0 68171 1 0 68172 1 0 69173 1 0 69174 1 0 69175 1 0 M END