HMDB0030776 RDKit 3D Maltol 15 15 0 0 0 0 0 0 0 0999 V2000 2.1935 -0.5047 -0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7013 -0.4190 -0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0561 -1.4865 -0.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 -1.4596 0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0655 -0.2780 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3154 0.8840 0.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9301 1.9669 0.2445 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0676 0.8020 0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 1.9741 -0.0383 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4764 -1.5817 -0.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7061 0.1136 0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 -0.2151 -1.2641 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9479 -2.3765 0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1416 -0.2946 0.3196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3546 2.8753 0.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 8 2 2 0 1 10 1 0 1 11 1 0 1 12 1 0 4 13 1 0 5 14 1 0 9 15 1 0 M END