HMDB0029648 RDKit 3D 2,4,5-Trimethoxybenzaldehyde 26 26 0 0 0 0 0 0 0 0999 V2000 2.9918 -1.9814 -0.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6822 -0.5981 -0.0674 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3888 -0.1219 -0.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3499 -1.0261 0.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9327 -0.5312 0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0118 -1.3819 0.0797 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9444 -2.7704 0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1692 0.8402 0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4749 1.3058 0.0514 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7300 2.6881 0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 1.7396 -0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1763 1.2440 -0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2931 2.1578 -0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0949 3.3882 -0.1121 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7332 -2.3681 0.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0528 -2.1776 -0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3598 -2.5458 -0.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5488 -2.0858 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8638 -3.1548 -0.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 -3.2080 -0.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9987 -3.2133 1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2132 3.1299 -0.8434 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3069 3.2021 0.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8096 2.8762 -0.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 2.8088 -0.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2976 1.7838 -0.1218 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 5 8 2 0 8 9 1 0 9 10 1 0 8 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 12 3 1 0 1 15 1 0 1 16 1 0 1 17 1 0 4 18 1 0 7 19 1 0 7 20 1 0 7 21 1 0 10 22 1 0 10 23 1 0 10 24 1 0 11 25 1 0 13 26 1 0 M END