HMDB0004061 RDKit 3D 3-Methoxy-4-hydroxyphenylglycolaldehyde 23 23 0 0 0 0 0 0 0 0999 V2000 -2.5889 0.8434 1.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5816 -0.0579 0.5079 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4014 -0.3019 -0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2374 0.3263 0.2329 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9458 0.0815 -0.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2294 0.7002 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1190 2.0651 0.1606 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8386 -0.0386 1.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9919 -1.2380 0.9288 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9045 -0.8041 -1.4892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2401 -1.4378 -1.8927 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4211 -1.1934 -1.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6027 -1.8336 -1.6259 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8710 0.5548 2.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 1.8460 1.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5974 0.9373 2.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2155 1.0288 1.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9038 0.5954 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8593 2.2992 0.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1637 0.4368 1.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8267 -1.0166 -2.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2486 -2.1422 -2.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4631 -1.6508 -1.1348 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 6 8 1 0 8 9 2 0 5 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 3 1 0 1 14 1 0 1 15 1 0 1 16 1 0 4 17 1 0 6 18 1 0 7 19 1 0 8 20 1 0 10 21 1 0 11 22 1 0 13 23 1 0 M END