HMDB0029388 RDKit 3D Cucurbic acid 35 35 0 0 0 0 0 0 0 0999 V2000 4.9187 1.7421 0.6561 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1507 0.4804 0.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7910 0.8092 -0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6825 0.4500 0.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3207 0.8012 -0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3669 -0.5146 -0.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 -1.3262 1.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1635 -0.6831 2.0403 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -2.4879 0.4735 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2789 -1.8204 -0.5435 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7149 -0.4574 -0.8368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5719 0.6739 -0.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9074 0.7066 -0.9673 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7981 -0.0707 -0.5723 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1957 1.5889 -1.9862 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9448 1.4476 1.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0891 2.3177 -0.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4568 2.4310 1.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1017 -0.0771 1.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7363 -0.1065 -0.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7381 1.3537 -1.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7932 -0.0922 1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4263 1.3327 -0.9803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1603 1.4504 0.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2837 -1.1279 -0.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4696 -1.7369 1.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 -1.1562 2.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7230 -3.2410 0.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9986 -2.8570 1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2152 -2.4507 -1.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3154 -1.8310 -0.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5888 -0.3328 -1.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 0.6169 0.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9875 1.6162 -0.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3773 2.5512 -1.7158 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 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 11 6 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 4 22 1 0 5 23 1 0 5 24 1 0 6 25 1 0 7 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 12 33 1 0 12 34 1 0 15 35 1 0 M END