HMDB0037281 RDKit 3D 4-Methyl-2-phenyl-2-pentenal 27 27 0 0 0 0 0 0 0 0999 V2000 -2.9976 -1.0455 0.6384 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3707 0.2394 0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 0.6263 -1.2169 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9604 -0.0720 -0.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0288 0.5879 0.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2028 1.6807 1.3393 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 2.3087 1.8934 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4063 0.1385 0.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5256 0.8239 0.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8183 0.3601 0.2492 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0408 -0.8013 -0.4426 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9276 -1.4895 -0.8532 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6342 -1.0302 -0.5799 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7514 -0.8149 1.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2301 -1.6871 1.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4189 -1.5809 -0.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5912 1.0192 0.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6411 -0.0263 -2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8476 1.6967 -1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1301 0.5035 -1.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7523 -0.8670 -0.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2237 1.9655 1.5504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4557 1.7468 1.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6780 0.9469 0.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0399 -1.1659 -0.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0798 -2.4192 -1.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8199 -1.6445 -0.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 5 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 6 22 1 0 9 23 1 0 10 24 1 0 11 25 1 0 12 26 1 0 13 27 1 0 M END