HMDB0032685 RDKit 3D (14alpha,17beta,20S,22R)-14,20-Epoxy-17-hydroxy-1-oxowitha-3,5,24-trienolide 69 74 0 0 0 0 0 0 0 0999 V2000 5.0171 -2.8577 0.7652 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7086 -1.4321 0.4992 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6099 -0.6673 -0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9171 -1.2496 -0.4616 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3298 0.7585 -0.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1922 1.4984 -0.9293 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0702 1.1951 0.0191 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0225 0.2446 -0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7235 0.8222 0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 1.3140 1.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7481 -0.1347 0.4396 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2088 0.2618 -0.5325 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4136 0.3473 -1.8782 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 1.5867 -1.7498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 1.9591 -0.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5662 3.1960 0.0416 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3404 1.7140 -0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 2.6196 -1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8396 1.6880 1.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2987 1.2058 1.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3814 -0.2004 0.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4094 -0.5754 -0.3802 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0181 -0.7806 -1.7732 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1612 -1.7077 -1.6651 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0066 -1.5406 -0.6722 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1280 -2.4595 -0.5767 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0522 -2.4054 0.3651 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9749 -1.3417 1.4234 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5661 -0.8667 1.5542 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0286 -0.8111 2.6601 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8443 -0.4678 0.3126 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5402 0.7789 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3834 -0.9224 0.9141 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0018 -2.9479 1.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2781 -3.3496 1.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0998 -3.4497 -0.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7859 -2.1980 -1.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5340 -0.5370 -1.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4945 -1.5332 0.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9772 -0.1877 -1.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1289 1.5876 1.9819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 0.5590 2.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5215 2.2945 2.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9523 -0.5398 -2.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3772 0.5285 -2.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3358 1.4163 -2.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8191 2.4103 -2.3105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0400 3.7153 -0.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0037 3.0421 -0.6998 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2035 2.2930 -2.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3941 3.5630 -1.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 2.6264 1.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3526 0.8353 1.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6274 1.2267 2.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9569 1.9282 0.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1905 -0.8585 1.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0108 -1.6220 -0.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2246 -1.2990 -2.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3533 0.1484 -2.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2783 -2.4890 -2.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2655 -3.2717 -1.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8758 -3.0918 0.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2735 -1.8299 2.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6667 -0.5429 1.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9172 1.3855 0.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4825 0.4067 -0.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0006 1.3303 -0.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4507 -0.6130 1.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5888 -1.7055 0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 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 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 8 33 1 0 33 2 1 0 15 9 1 0 31 21 1 0 17 12 1 0 31 25 1 0 22 12 1 0 1 34 1 0 1 35 1 0 1 36 1 0 4 37 1 0 4 38 1 0 4 39 1 0 8 40 1 0 10 41 1 0 10 42 1 0 10 43 1 0 13 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 16 48 1 0 18 49 1 0 18 50 1 0 18 51 1 0 19 52 1 0 19 53 1 0 20 54 1 0 20 55 1 0 21 56 1 0 22 57 1 0 23 58 1 0 23 59 1 0 24 60 1 0 26 61 1 0 27 62 1 0 28 63 1 0 28 64 1 0 32 65 1 0 32 66 1 0 32 67 1 0 33 68 1 0 33 69 1 0 M END