HMDB0037039 RDKit 3D 4-O-Methylmelleolide 60 63 0 0 0 0 0 0 0 0999 V2000 -0.0114 -0.4460 -3.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1746 -1.0327 -1.8869 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3736 -0.3781 -0.7451 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5546 -1.3370 0.4038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4764 -2.3389 0.5841 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4516 -2.3711 -0.1979 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5632 -1.3320 1.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6655 -0.3802 1.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0572 -1.0233 1.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8782 -0.2120 0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1007 0.3872 0.8337 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2609 -1.0954 -0.9636 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9239 0.8665 -0.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6726 0.0890 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 0.6909 -0.7329 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5949 1.6117 -1.8728 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5304 1.3149 0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6138 0.7312 -0.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7614 0.3681 0.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0341 0.6915 -0.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0684 1.3620 -1.2326 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2377 0.2773 0.5385 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4867 0.6193 0.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6630 1.4270 -1.1806 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6121 0.2216 0.7668 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5069 -0.5193 1.9228 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6854 -0.8876 2.5707 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2631 -0.8653 2.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1592 -0.4653 1.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8940 -0.8294 2.1949 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8665 0.2692 -3.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8844 -0.0417 -3.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3671 -1.2682 -3.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4498 -3.0770 1.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5833 -2.0722 2.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 0.4520 1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5047 -1.0208 2.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9163 -2.0620 0.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5257 1.1105 0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9205 0.8115 1.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8552 -0.4240 0.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0257 -0.5827 -1.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7616 -2.0846 -0.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3704 -1.3049 -0.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9522 1.7192 0.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2970 1.1194 -1.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8386 -0.8600 -0.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4595 1.2824 -2.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7203 1.9486 -2.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9951 2.5895 -1.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5289 2.4181 0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7298 0.9585 1.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8146 1.3199 -1.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1695 2.4078 -1.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7341 1.5870 -1.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2320 0.8802 -2.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5845 0.5199 0.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1006 -0.2954 3.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1859 -1.4552 3.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8316 -1.3686 3.0372 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 2 0 4 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 10 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 20 21 2 0 20 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 2 0 26 27 1 0 26 28 1 0 28 29 2 0 29 30 1 0 15 3 1 0 29 22 1 0 18 3 1 0 14 8 1 0 1 31 1 0 1 32 1 0 1 33 1 0 5 34 1 0 7 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 11 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 12 44 1 0 13 45 1 0 13 46 1 0 14 47 1 0 16 48 1 0 16 49 1 0 16 50 1 0 17 51 1 0 17 52 1 0 18 53 1 0 24 54 1 0 24 55 1 0 24 56 1 0 25 57 1 0 27 58 1 0 28 59 1 0 30 60 1 0 M END