HMDB0011714 RDKit 3D Vanilpyruvic acid 25 25 0 0 0 0 0 0 0 0999 V2000 -3.1841 0.7537 1.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0247 0.6657 0.0437 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8715 0.2220 -0.5727 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7479 -0.1840 0.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4012 -0.6270 -0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6051 -1.0623 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5504 0.0552 0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2310 1.1965 0.0262 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8033 -0.1795 1.1492 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1389 -1.3125 1.5707 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6733 0.8772 1.3768 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3431 -0.6333 -1.9167 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7555 -0.2370 -2.6272 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8857 0.1990 -1.9654 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0145 0.6068 -2.6674 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6289 -0.0004 2.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7818 1.7593 1.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2692 0.7629 1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7614 -0.1570 1.2001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1572 -1.8689 -0.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2904 -1.4535 1.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1061 0.9219 2.2918 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2344 -0.9770 -2.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7859 -0.2479 -3.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8233 0.9198 -2.1464 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 2 0 7 9 1 0 9 10 2 0 9 11 1 0 5 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 3 1 0 1 16 1 0 1 17 1 0 1 18 1 0 4 19 1 0 6 20 1 0 6 21 1 0 11 22 1 0 12 23 1 0 13 24 1 0 15 25 1 0 M END