HMDB0304750 RDKit 3D Viniferin-alpha 81 90 0 0 0 0 0 0 0 0999 V2000 6.0114 3.7686 -0.7756 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3635 2.5299 -0.7735 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1809 2.3596 -1.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5344 1.1337 -1.4512 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0884 0.0938 -0.7642 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4577 -1.2258 -0.7301 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4978 -1.6345 0.6770 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7005 -0.6622 1.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7829 -0.0613 2.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8459 0.8884 2.9054 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8957 1.5101 4.1634 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 1.2166 2.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7861 0.6084 0.7298 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7001 -0.3127 0.4126 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9012 -1.1468 -0.7921 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3713 -2.5242 -0.6339 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2315 -3.5922 -0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7708 -4.9218 -0.5444 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6591 -5.9942 -0.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4444 -5.2052 -0.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4589 -4.0988 -0.4025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0424 -2.8466 -0.5055 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0737 -1.8536 -0.3972 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0098 -0.8927 -1.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2978 -1.3709 -2.7917 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 -0.5009 -3.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4929 -0.9692 -5.1409 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8241 0.8313 -3.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5478 1.2618 -2.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 0.3914 -1.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3363 1.1342 -0.0972 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1659 2.5722 -0.4808 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2356 3.4961 -0.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4370 4.6927 -0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4159 5.5846 -0.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2536 5.3682 0.6404 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2485 6.2919 0.9852 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0800 4.2206 1.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0795 3.3031 0.9968 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1598 2.5051 -1.9142 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2495 -2.7035 -0.2785 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1941 -2.4530 0.8219 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1592 -1.3990 1.6758 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0672 -1.2095 2.7084 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0700 -2.1381 2.8921 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9899 -1.9955 3.8949 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1367 -3.2297 2.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2114 -3.3829 1.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8141 -4.0332 -0.2986 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2711 0.2951 -0.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9411 1.4825 -0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8818 3.8907 -0.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7570 3.2124 -2.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6076 1.0668 -2.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8966 -1.9734 -1.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5578 -0.3307 3.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4331 2.3748 4.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1663 1.9709 2.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6601 -0.7010 -1.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2884 -3.5311 -0.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8779 -6.3902 -1.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0005 -6.1651 -0.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8181 -1.2713 0.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5819 -2.3990 -2.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3988 -0.9450 -5.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7673 1.4588 -4.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2556 1.1029 0.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8381 2.9730 -0.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7749 4.8717 -1.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5709 6.5126 -0.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8341 6.0893 1.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7319 4.0490 2.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0462 2.4437 1.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8751 -2.6270 -1.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4053 -0.6593 1.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9912 -0.3477 3.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7331 -2.6866 4.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9380 -3.9365 2.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3156 -4.2542 0.3939 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7182 -0.5421 0.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8698 1.5622 0.4796 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 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 1 0 26 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 36 38 1 0 38 39 2 0 32 40 1 0 23 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 2 0 45 46 1 0 45 47 1 0 47 48 2 0 41 49 1 0 5 50 1 0 50 51 2 0 51 2 1 0 15 6 1 0 22 16 1 0 30 24 1 0 39 33 1 0 48 42 1 0 14 8 1 0 49 21 1 0 31 13 1 0 40 29 1 0 1 52 1 0 3 53 1 0 4 54 1 0 6 55 1 6 9 56 1 0 11 57 1 0 12 58 1 0 15 59 1 6 17 60 1 0 19 61 1 0 20 62 1 0 23 63 1 1 25 64 1 0 27 65 1 0 28 66 1 0 31 67 1 1 32 68 1 1 34 69 1 0 35 70 1 0 37 71 1 0 38 72 1 0 39 73 1 0 41 74 1 6 43 75 1 0 44 76 1 0 46 77 1 0 47 78 1 0 48 79 1 0 50 80 1 0 51 81 1 0 M END