HMDB0302072 RDKit 3D Methyl ferulate 27 27 0 0 0 0 0 0 0 0999 V2000 5.6198 0.0244 -1.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4842 -0.3384 -0.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2443 0.0906 -0.9468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1105 0.7966 -1.9745 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0233 -0.2676 -0.1977 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8659 0.1445 -0.6068 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3735 -0.1706 0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4357 -0.9300 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6366 -1.2192 1.8659 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7898 -0.7198 1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0182 -0.9634 1.9059 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7922 0.0584 0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9916 0.5416 -0.3398 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9408 1.3257 -1.5162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 0.3163 -0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3676 0.5062 -2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3111 -0.8093 -1.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1806 0.7967 -0.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1353 -0.8638 0.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8087 0.7610 -1.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5036 -1.3128 1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6152 -1.8179 2.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0633 -1.5220 2.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2032 2.1294 -1.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9449 1.8125 -1.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7055 0.7102 -2.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5564 0.9208 -1.3347 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 3 5 1 0 5 6 2 3 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 12 15 2 0 15 7 1 0 1 16 1 0 1 17 1 0 1 18 1 0 5 19 1 0 6 20 1 0 8 21 1 0 9 22 1 0 11 23 1 0 14 24 1 0 14 25 1 0 14 26 1 0 15 27 1 0 M END