HMDB0039364 RDKit 3D Isolimonic acid 16->17-lactone 67 72 0 0 0 0 0 0 0 0999 V2000 -4.6811 -0.8021 0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8513 -0.5644 -0.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6401 -1.1729 -1.5883 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7401 0.7880 -0.7674 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4280 1.0202 -1.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6377 0.1796 -0.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 0.7393 1.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1748 0.0011 2.1917 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2914 2.1506 1.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5431 2.6524 2.7169 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1747 3.7916 3.1019 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2077 1.8653 3.6445 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4868 -1.0602 -0.4298 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0461 -2.2593 0.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5598 -2.1823 0.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0174 -2.7150 1.2830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2452 -1.4676 -0.6533 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0122 -2.0063 -2.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2129 -0.0223 -0.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3844 0.8727 -1.5057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8624 0.9518 -1.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4922 -0.2671 -0.6657 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6346 -0.5885 -1.6146 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1781 0.0657 0.6693 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7745 1.3940 0.7043 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3165 2.4759 1.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1675 3.5298 1.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0885 3.1395 0.3489 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8801 1.8610 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1974 -0.9236 0.7949 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7778 -2.2246 0.7209 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5720 -3.1457 1.0118 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3806 -2.5078 0.2938 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3031 -2.7030 -1.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 -1.4974 -0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2044 0.1291 1.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5515 -1.4999 0.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1483 -1.3200 1.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4103 -0.6434 -2.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3070 -2.2194 -1.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7135 -1.1784 -1.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1801 2.0639 -1.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2713 0.5233 -2.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9146 0.7218 1.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5452 0.5028 2.7266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1899 2.0853 1.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7624 2.8569 0.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2208 1.8700 3.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2733 -1.2516 -1.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5128 -2.4651 1.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2707 -3.1616 -0.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9637 -2.4643 -2.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2796 -1.2871 -2.8004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6454 -2.9202 -1.9801 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3253 0.2595 0.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2067 0.6518 -2.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1005 1.8866 -1.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9559 1.8154 -0.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3314 1.3710 -2.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3786 -1.4555 -2.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8246 0.2524 -2.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5541 -0.8096 -1.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4623 -0.1271 1.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4661 2.5225 2.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0794 4.5281 1.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5284 1.3188 -0.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0184 -3.4325 0.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 6 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 24 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 13 2 1 0 35 17 1 0 19 6 1 0 35 22 1 0 29 25 2 0 35 33 1 0 1 36 1 0 1 37 1 0 1 38 1 0 3 39 1 0 3 40 1 0 3 41 1 0 5 42 1 0 5 43 1 0 7 44 1 0 8 45 1 0 9 46 1 0 9 47 1 0 12 48 1 0 13 49 1 0 14 50 1 0 14 51 1 0 18 52 1 0 18 53 1 0 18 54 1 0 19 55 1 0 20 56 1 0 20 57 1 0 21 58 1 0 21 59 1 0 23 60 1 0 23 61 1 0 23 62 1 0 24 63 1 0 26 64 1 0 27 65 1 0 29 66 1 0 33 67 1 0 M END