HMDB0036818 RDKit 3D Vitispirane 34 35 0 0 0 0 0 0 0 0999 V2000 0.6901 2.4406 -0.9005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1751 1.6662 -0.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3748 2.2877 0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3096 1.5515 0.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 0.0857 0.9488 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2902 -0.5096 -0.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1055 -1.9670 0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0131 -0.4159 -1.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0582 0.2047 -0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9114 -0.3353 -1.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2764 -0.4662 -0.6237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0545 -0.0738 0.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7907 -1.0830 1.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6828 -0.1310 1.0245 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5102 3.4948 -0.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5953 2.0075 -1.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5542 3.3543 0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1918 2.0079 1.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1842 -0.3664 0.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7171 -0.1591 1.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3288 -2.0335 1.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8451 -2.5846 -0.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0566 -2.3115 0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6254 -1.1112 -2.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0298 0.6157 -1.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0941 -0.6673 -1.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 -1.3811 -1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9124 0.2835 -2.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0615 0.1409 -1.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6576 -1.5225 -0.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3819 0.9622 1.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2960 -1.1147 2.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8614 -0.7877 1.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7660 -2.0821 1.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 6 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 9 2 1 0 14 9 1 0 1 15 1 0 1 16 1 0 3 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 7 21 1 0 7 22 1 0 7 23 1 0 8 24 1 0 8 25 1 0 8 26 1 0 10 27 1 0 10 28 1 0 11 29 1 0 11 30 1 0 12 31 1 0 13 32 1 0 13 33 1 0 13 34 1 0 M END