HMDB0035503 RDKit 3D Pseudoisoeugenol 2-methylbutanoate 38 38 0 0 0 0 0 0 0 0999 V2000 1.5538 3.8222 -0.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0179 2.4172 -0.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1627 1.4268 -0.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4871 0.0197 -0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7637 -0.3782 0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0100 -1.7211 0.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2939 -2.0987 0.7006 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3061 -1.1564 0.9346 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0473 -2.6557 0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7859 -2.2351 -0.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4977 -0.9069 -0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7365 -0.5091 -0.8698 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7829 -0.2039 -0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6439 -0.2810 1.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0578 0.2128 -0.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5503 -0.8916 -1.5028 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0771 0.6518 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3503 -0.4987 1.3221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9651 4.1754 0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4415 4.4639 -0.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9156 3.8349 -1.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0141 2.2342 0.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1604 1.6868 -0.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5366 0.3228 0.3228 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0778 -0.5103 1.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3711 -0.5165 0.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2876 -1.6423 1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2721 -3.6898 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0414 -3.0099 -0.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8424 1.0943 -1.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9064 -0.8940 -2.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4389 -1.8978 -1.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5855 -0.7305 -1.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7244 1.5060 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0349 0.8944 -0.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7327 -0.3607 2.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1207 -1.4772 0.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4247 -0.4979 1.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 6 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 11 4 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 3 23 1 0 5 24 1 0 8 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 10 29 1 0 15 30 1 0 16 31 1 0 16 32 1 0 16 33 1 0 17 34 1 0 17 35 1 0 18 36 1 0 18 37 1 0 18 38 1 0 M END