HMDB0001856 RDKit 3D Protocatechuic acid 17 17 0 0 0 0 0 0 0 0999 V2000 3.2677 -0.6454 -0.8475 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4629 0.2249 -0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9356 1.5030 -0.1701 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0424 -0.0901 -0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5607 -1.3525 -0.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7886 -1.6538 -0.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6919 -0.7069 0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0398 -1.0414 0.2061 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2025 0.5545 0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0837 1.5150 0.7621 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1389 0.8540 0.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2685 1.6422 0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2299 -2.1289 -0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1731 -2.6499 -0.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6957 -0.3426 0.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7685 2.4641 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5374 1.8537 0.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 9 11 2 0 11 4 1 0 3 12 1 0 5 13 1 0 6 14 1 0 8 15 1 0 10 16 1 0 11 17 1 0 M END