HMDB0029663 RDKit 3D Vanillin acetate 24 24 0 0 0 0 0 0 0 0999 V2000 -0.1778 3.0298 0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3737 1.7717 -0.1487 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3442 0.5889 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7111 0.5045 -0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3681 -0.7066 -0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8136 -0.7636 0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4399 -1.8508 0.0461 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6857 -1.8878 -0.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3246 -1.8142 -0.4744 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3309 -0.5989 -0.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7158 -0.5638 -0.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5777 -0.6807 0.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0515 -0.6403 0.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1603 -0.8213 1.6536 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0898 3.0237 0.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5383 3.7324 0.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3989 3.5027 -0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2376 1.4397 0.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3664 0.1517 0.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2525 -2.8093 -0.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1959 -2.7500 -0.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3297 0.4165 0.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3269 -1.2382 -0.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6094 -1.0362 1.1312 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 2 0 5 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 2 0 10 3 1 0 1 15 1 0 1 16 1 0 1 17 1 0 4 18 1 0 6 19 1 0 8 20 1 0 9 21 1 0 13 22 1 0 13 23 1 0 13 24 1 0 M END