HMDB0034024 RDKit 3D Isosativan 39 41 0 0 0 0 0 0 0 0999 V2000 -6.3572 -0.5620 1.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8682 -0.2577 -0.2012 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5040 -0.1398 -0.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5535 -0.3108 0.5628 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1676 -0.1913 0.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6983 0.1030 -0.9317 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2737 0.3148 -1.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 -0.8761 -1.7615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7867 -0.3066 -1.9915 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5248 -0.1360 -0.8006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8806 -0.3633 -0.6886 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5707 -0.1886 0.5285 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9130 -0.4296 0.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6378 -0.2989 1.7802 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8133 0.2267 1.6106 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4456 0.4599 1.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7964 0.2735 0.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3501 0.5156 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6566 0.2777 -1.9322 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1879 0.5791 -3.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0010 0.1620 -1.6997 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6440 -1.2398 1.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3692 -1.0553 1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4101 0.3979 1.6871 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8875 -0.5337 1.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5790 -0.3435 1.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 1.1837 -1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0473 -0.9488 -2.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5232 -1.7597 -1.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4213 -0.6751 -1.5553 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2483 0.4781 2.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5493 -1.3153 2.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7346 -0.1985 1.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2738 0.3983 2.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9081 0.7868 2.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0328 -0.3634 0.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0645 1.4830 0.6288 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9024 0.6745 -3.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7677 0.2824 -2.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 12 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 6 19 1 0 19 20 1 0 19 21 2 0 21 3 1 0 18 7 1 0 17 10 1 0 1 22 1 0 1 23 1 0 1 24 1 0 4 25 1 0 5 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 11 30 1 0 14 31 1 0 14 32 1 0 14 33 1 0 15 34 1 0 16 35 1 0 18 36 1 0 18 37 1 0 20 38 1 0 21 39 1 0 M END