HMDB0033833 RDKit 3D Methyl cinnamate 22 22 0 0 0 0 0 0 0 0999 V2000 2.7710 1.6380 -0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8182 0.6097 0.0869 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1946 -0.6856 0.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4787 -0.8708 0.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3781 -1.8336 0.4066 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1118 -1.9149 0.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8319 -0.8957 0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7397 0.2295 -0.7339 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7120 1.2166 -0.8208 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8733 1.0987 -0.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0119 -0.0274 0.6684 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0522 -0.9926 0.7507 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8424 2.2378 0.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4532 2.3147 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7757 1.2936 -0.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9678 -2.7911 0.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2972 -2.9597 0.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1013 0.3615 -1.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5831 2.0931 -1.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6602 1.8592 -0.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9360 -0.1176 1.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1954 -1.8635 1.3734 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 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 7 1 0 1 13 1 0 1 14 1 0 1 15 1 0 5 16 1 0 6 17 1 0 8 18 1 0 9 19 1 0 10 20 1 0 11 21 1 0 12 22 1 0 M END