HMDB0032468 RDKit 3D 2-Phenylpropionaldehyde dimethyl acetal 29 29 0 0 0 0 0 0 0 0999 V2000 3.4900 -0.6619 0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3235 -1.4088 0.0569 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2078 -0.6037 -0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6913 -0.8986 -1.4676 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8238 0.1892 -2.3569 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1804 -0.7717 0.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2652 -2.1975 0.9936 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9123 0.1994 0.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8030 0.1812 -0.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8439 1.0751 -0.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0373 2.0549 0.5691 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1608 2.0947 1.6322 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1217 1.1944 1.7497 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3156 -1.3690 0.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 -0.0342 -0.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3727 -0.0205 1.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5920 0.4360 -0.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9333 0.3774 -2.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4434 -0.0645 -3.3486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3951 1.1005 -1.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7398 -0.5462 1.8353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1982 -2.2088 1.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5227 -2.6592 0.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4839 -2.7680 1.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6691 -0.5764 -1.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5426 1.0474 -1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8565 2.7552 0.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3285 2.8662 2.3685 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4259 1.2174 2.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 3 6 1 0 6 7 1 0 6 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 3 17 1 0 5 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 7 24 1 0 9 25 1 0 10 26 1 0 11 27 1 0 12 28 1 0 13 29 1 0 M END