HMDB0036929 RDKit 3D 13-Hydroxydihydromelleolide 60 63 0 0 0 0 0 0 0 0999 V2000 1.8193 1.3967 0.6682 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2445 1.3707 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1840 2.1669 0.8387 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5090 2.1681 0.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4579 2.9719 1.0708 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8931 1.3432 -0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9736 0.5323 -1.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4068 -0.3009 -2.2388 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6488 0.5347 -0.8085 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6921 -0.3276 -1.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0978 -1.0622 -2.4117 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3469 -0.3932 -1.1670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4321 -1.2277 -1.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7116 -0.3794 -2.3931 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -0.9058 -1.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8875 -1.4455 -1.9617 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8346 0.0740 -0.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0733 0.8955 -0.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3188 1.3477 1.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0785 2.8347 1.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6864 0.9655 1.6143 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3117 0.5653 1.9982 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0765 -0.6378 1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2063 -1.4528 1.0414 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8802 -1.4173 1.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2214 -2.0010 0.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0126 -2.8044 0.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8213 -4.1257 0.3606 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5808 -1.9431 -0.9835 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9949 -3.1831 -1.4942 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4745 0.4065 1.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1755 1.8059 -0.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7333 2.0952 1.5206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9060 2.8293 1.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2337 3.5991 1.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9293 1.2953 -0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3751 -0.3003 -2.5176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9309 -1.8300 -2.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 0.7013 -2.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9711 -0.6912 -3.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3252 -0.5991 -2.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6281 -2.2423 -2.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6196 -1.7836 -1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9664 0.7411 -0.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9758 1.7833 -0.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9222 0.2409 -0.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4305 3.2722 0.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7595 3.2609 2.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0283 3.0974 1.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1796 0.2366 0.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2893 1.9184 1.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6370 0.6059 2.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3572 1.1299 2.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7231 0.3027 2.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0456 -2.3555 1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4795 -1.5587 2.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9306 -2.3763 0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1433 -2.8690 1.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1934 -4.5683 0.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2093 -3.7077 -1.8277 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 4 5 1 0 4 6 2 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 2 0 10 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 18 19 1 0 19 20 1 0 19 21 1 0 19 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 26 29 1 0 29 30 1 0 9 2 1 0 29 13 1 0 29 15 1 0 23 17 1 0 1 31 1 0 1 32 1 0 1 33 1 0 3 34 1 0 5 35 1 0 6 36 1 0 8 37 1 0 13 38 1 0 14 39 1 0 14 40 1 0 16 41 1 0 16 42 1 0 16 43 1 0 17 44 1 0 18 45 1 0 18 46 1 0 20 47 1 0 20 48 1 0 20 49 1 0 21 50 1 0 21 51 1 0 21 52 1 0 22 53 1 0 22 54 1 0 24 55 1 0 25 56 1 0 27 57 1 0 27 58 1 0 28 59 1 0 30 60 1 0 M END