HMDB0035009 RDKit 3D Phenethyl phenylacetate 34 35 0 0 0 0 0 0 0 0999 V2000 -0.8085 -0.8721 0.4964 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0775 0.2845 0.8952 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3857 0.6379 1.4992 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4352 0.4345 0.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0889 -0.7737 0.4435 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0715 -0.9638 -0.4936 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4132 0.0282 -1.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7321 1.2375 -1.3172 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7551 1.4304 -0.3869 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0697 1.2535 0.7417 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1584 0.9168 0.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9414 -0.1061 0.9904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2068 -0.3797 0.2701 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2436 -1.4449 -0.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3884 -1.7158 -1.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5048 -0.9191 -1.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4945 0.1643 -0.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3126 0.4195 0.4494 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5389 -0.0940 2.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3773 1.6249 1.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8264 -1.5730 1.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5725 -1.9288 -0.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1985 -0.1513 -2.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9955 2.0113 -2.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2574 2.4065 -0.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7904 1.8502 0.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1314 0.6585 -0.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1217 0.3968 1.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4134 -1.0638 1.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3688 -2.0925 -0.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4102 -2.5598 -1.9892 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4192 -1.1484 -1.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3812 0.7563 -0.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3170 1.2751 1.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 2 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 9 4 1 0 18 13 1 0 3 19 1 0 3 20 1 0 5 21 1 0 6 22 1 0 7 23 1 0 8 24 1 0 9 25 1 0 11 26 1 0 11 27 1 0 12 28 1 0 12 29 1 0 14 30 1 0 15 31 1 0 16 32 1 0 17 33 1 0 18 34 1 0 M END