HMDB0297229 RDKit 3D DG(8:0/0:0/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17)) 91 90 0 0 0 0 0 0 0 0999 V2000 -11.6802 -4.0126 -2.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3482 -2.5494 -2.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8949 -2.3232 -2.3579 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1030 -1.8344 -1.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5610 -1.4429 -0.0803 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2452 0.0510 0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9007 0.8052 -0.8743 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7877 0.3101 0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0023 -0.3060 0.8875 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5496 -0.0679 0.8398 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8037 -0.7057 1.7123 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3137 -0.5513 1.7729 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9687 -0.0644 3.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3641 1.0525 3.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9430 1.9988 2.2814 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5907 3.3027 2.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9495 4.4150 2.6672 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4697 4.4728 2.7382 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0199 5.3879 1.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7842 5.0316 0.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3631 3.7119 0.5641 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9452 3.1958 -0.8053 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5371 1.8542 -1.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5384 1.4385 -2.2571 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0503 1.1295 -0.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6671 -0.0864 -0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0578 -0.0585 -0.6247 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8928 0.7562 0.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2052 0.2284 -2.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5142 -0.0707 -2.5084 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6708 0.5353 -2.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6288 1.5270 -1.3517 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0103 0.1217 -2.6839 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6803 -0.8110 -1.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8694 -2.0116 -1.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2358 -3.0537 -0.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4595 -3.8329 -0.5717 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7898 -3.2138 -0.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1200 -2.4148 0.6874 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1451 -4.3749 -1.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3929 -4.1183 -3.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7661 -4.6310 -2.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7897 -2.1559 -1.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8432 -1.9876 -3.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4027 -2.5663 -3.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0428 -1.7051 -1.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9047 -1.9775 0.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5849 -1.6700 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6172 0.4084 1.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7552 1.1563 -0.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3543 0.9862 -0.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4376 -0.9599 1.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0930 0.5965 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2775 -1.3694 2.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9119 -1.6285 1.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 -0.0866 0.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2446 -0.6982 3.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1324 1.3540 4.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8604 1.9710 2.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2651 1.6491 1.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7052 3.2839 2.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5397 5.3597 2.7944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0408 3.5337 2.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2635 5.0314 3.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4346 6.4187 1.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0654 5.7922 -0.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4851 3.8609 0.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 2.9796 1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2974 3.8934 -1.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1549 3.1401 -0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6961 -0.4893 0.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0228 -0.8156 -0.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4919 -1.1208 -0.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3620 1.3872 0.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0937 1.3514 -2.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5225 -0.3472 -2.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6230 1.0200 -2.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9028 -0.4007 -3.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7056 -0.1688 -0.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7004 -0.8867 -1.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6670 -2.4371 -2.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8232 -1.6649 -1.1663 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3796 -3.8228 -0.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0648 -2.7197 0.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4285 -4.5602 0.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3641 -4.5773 -1.4289 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0076 -2.6485 -1.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6021 -4.0312 -0.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6203 -1.4351 0.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8487 -2.9011 1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2615 -2.1322 1.3255 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 1 40 1 0 1 41 1 0 1 42 1 0 2 43 1 0 2 44 1 0 3 45 1 0 4 46 1 0 5 47 1 0 5 48 1 0 6 49 1 0 7 50 1 0 8 51 1 0 9 52 1 0 10 53 1 0 11 54 1 0 12 55 1 0 12 56 1 0 13 57 1 0 14 58 1 0 15 59 1 0 15 60 1 0 16 61 1 0 17 62 1 0 18 63 1 0 18 64 1 0 19 65 1 0 20 66 1 0 21 67 1 0 21 68 1 0 22 69 1 0 22 70 1 0 26 71 1 0 26 72 1 0 27 73 1 6 28 74 1 0 29 75 1 0 29 76 1 0 33 77 1 0 33 78 1 0 34 79 1 0 34 80 1 0 35 81 1 0 35 82 1 0 36 83 1 0 36 84 1 0 37 85 1 0 37 86 1 0 38 87 1 0 38 88 1 0 39 89 1 0 39 90 1 0 39 91 1 0 M END