HMDB0033718 RDKit 3D Clitocine 33 34 0 0 0 0 0 0 0 0999 V2000 5.3732 -0.1215 0.0921 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0979 0.2042 -0.4416 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9384 0.7282 -1.6683 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7126 1.0213 -2.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6353 0.7882 -1.3620 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6908 0.2689 -0.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5776 0.0173 0.7073 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7446 0.3097 0.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7111 0.0442 1.2288 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9037 0.2640 0.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0699 -0.4566 1.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1967 -0.1551 0.4246 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7224 -0.2953 -0.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9475 0.6916 -1.7821 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2282 -0.6036 -0.8565 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6628 -0.3260 -2.0738 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9693 -0.0269 0.3341 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0696 -0.5796 1.6410 N 0 0 0 0 0 4 0 0 0 0 0 0 2.8814 0.1547 2.6248 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3740 -1.9170 1.7298 O 0 0 0 0 0 1 0 0 0 0 0 0 6.1726 0.4949 -0.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4945 -0.9268 0.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5577 1.4497 -3.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7079 -0.3790 1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 1.3450 -0.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0536 1.3585 0.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8279 -1.5358 1.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2022 -0.1639 2.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0625 0.6637 -0.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3216 -1.2102 -1.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7524 1.5876 -1.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0389 -1.6567 -0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9111 -1.0375 -2.7081 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 1 0 9 10 1 0 10 11 1 0 11 12 1 0 10 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 6 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 17 2 1 0 15 8 1 0 1 21 1 0 1 22 1 0 4 23 1 0 7 24 1 0 8 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 12 29 1 0 13 30 1 0 14 31 1 0 15 32 1 0 16 33 1 0 M CHG 2 18 1 20 -1 M END