HMDB0000484 RDKit 3D Vanillic acid 20 20 0 0 0 0 0 0 0 0999 V2000 -2.6049 -1.3196 0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 0.0384 0.1901 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8851 0.4308 0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1369 -0.5004 -0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4477 -0.0880 -0.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5390 -1.0451 -0.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7219 -0.6560 -0.4172 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3012 -2.4090 -0.3489 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6826 1.2668 -0.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6785 2.2025 -0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6299 1.7858 0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6786 2.7118 0.2441 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0342 -1.8824 -0.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 -1.7969 1.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6834 -1.3890 -0.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0864 -1.5527 -0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8252 -3.0766 0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7088 1.6061 -0.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 3.2755 0.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6364 2.3980 0.3250 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 2 0 6 8 1 0 5 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 3 1 0 1 13 1 0 1 14 1 0 1 15 1 0 4 16 1 0 8 17 1 0 9 18 1 0 10 19 1 0 12 20 1 0 M END