HMDB0241820 RDKit 3D (5Z)-7-[(1R,2E,5S)-5-Hydroxy-2-[(2E)-oct-2-en-1-ylidene]-3-oxocyclopentyl]hep... 77 77 0 0 0 0 0 0 0 0999 V2000 11.6432 1.1714 -0.8569 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 1.6874 -1.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5357 1.8229 0.3081 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4544 0.4940 1.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6988 -0.5339 0.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3110 -0.1820 -0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2855 -0.9074 0.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9070 -0.5501 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8785 -1.2516 0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8457 -2.4751 1.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7624 -2.9260 1.9607 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5037 -3.1395 1.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0396 -2.3935 -0.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8952 -2.8451 -1.2477 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4131 -0.9716 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2348 0.0158 -0.8947 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8293 0.3582 -1.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1841 -0.0946 -0.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6025 0.3198 -0.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4305 -0.8889 -1.1114 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8476 -0.5728 -1.4601 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6074 0.0854 -0.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0822 0.3114 0.7562 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9249 0.4858 -0.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6440 1.1011 0.5024 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9097 2.5516 0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6789 3.1952 1.2692 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9260 3.1199 1.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0250 3.9132 2.2554 O 0 0 0 0 0 1 0 0 0 0 0 0 -7.7920 0.3383 1.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8270 -0.0636 0.1626 N 0 0 0 0 0 4 0 0 0 0 0 0 -8.9625 0.6698 -1.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7667 -1.4941 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0997 0.0897 0.8783 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0962 1.5300 0.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6283 0.0577 -0.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2363 1.5684 -1.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6556 1.0768 -1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2793 2.7266 -1.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5242 2.2340 0.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1530 2.5212 0.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0113 0.6809 2.0298 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4946 0.1229 1.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2445 -0.6953 -0.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7852 -1.4983 0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1133 0.7078 -0.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5109 -1.7949 0.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7684 0.3672 -0.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8326 -2.9861 1.8674 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6640 -4.2252 0.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9994 -2.5150 -0.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6368 -2.5268 -2.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8783 -0.7407 1.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8249 0.9388 -0.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6725 -0.2881 -1.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6214 1.0584 -1.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0169 -0.7436 0.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5167 1.0029 -1.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9570 0.9118 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9369 -1.3817 -1.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3584 -1.6337 -0.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9123 -0.0390 -2.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3602 -1.5626 -1.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9229 1.1764 1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9024 3.0870 0.1604 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3386 2.7358 -0.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4188 -0.5795 1.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2420 0.9517 1.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0528 0.6688 -1.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7485 0.0874 -1.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4308 1.6496 -0.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5241 -2.0790 0.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7756 -1.7975 -0.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0838 -1.6790 -1.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9279 0.1027 1.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5329 1.0532 0.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8248 -0.6931 0.5725 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 3 7 8 1 0 8 9 2 3 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 2 3 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 2 0 27 29 1 0 25 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 15 9 1 0 1 35 1 0 1 36 1 0 1 37 1 0 2 38 1 0 2 39 1 0 3 40 1 0 3 41 1 0 4 42 1 0 4 43 1 0 5 44 1 0 5 45 1 0 6 46 1 0 7 47 1 0 8 48 1 0 12 49 1 0 12 50 1 0 13 51 1 0 14 52 1 0 15 53 1 0 16 54 1 0 16 55 1 0 17 56 1 0 18 57 1 0 19 58 1 0 19 59 1 0 20 60 1 0 20 61 1 0 21 62 1 0 21 63 1 0 25 64 1 0 26 65 1 0 26 66 1 0 30 67 1 0 30 68 1 0 32 69 1 0 32 70 1 0 32 71 1 0 33 72 1 0 33 73 1 0 33 74 1 0 34 75 1 0 34 76 1 0 34 77 1 0 M CHG 2 29 -1 31 1 M END