HMDB0035056 RDKit 3D 1-(3-Hydroxy-4-methoxyphenyl)-1,2-ethanediol 25 25 0 0 0 0 0 0 0 0999 V2000 4.1372 -0.4372 0.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2857 0.6729 -0.1014 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9147 0.4887 -0.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 -0.7546 0.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -0.9124 0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8848 0.1435 -0.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3601 -0.0551 -0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8957 0.9576 0.7315 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6607 -1.4123 0.4465 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0269 -1.6549 0.5709 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3148 1.3897 -0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0535 1.5553 -0.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6171 2.8154 -0.4599 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9922 -1.1988 -0.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1941 -0.1582 0.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 -0.9190 1.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9967 -1.6331 0.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3898 -1.9246 0.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7917 0.0788 -1.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1187 1.7305 0.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3083 -2.1699 -0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1486 -1.6254 1.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5242 -0.8493 0.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9906 2.2389 -0.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0517 3.6336 -0.5955 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 2 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 6 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 5 18 1 0 7 19 1 0 8 20 1 0 9 21 1 0 9 22 1 0 10 23 1 0 11 24 1 0 13 25 1 0 M END