HMDB0041564 RDKit 3D p-Tolyl phenylacetate 31 32 0 0 0 0 0 0 0 0999 V2000 5.6259 -0.1094 1.2496 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2812 -0.2921 0.6148 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7753 0.7607 -0.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5508 0.5940 -0.7194 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7845 -0.5452 -0.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5497 -0.6126 -1.2325 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6255 -0.2256 -0.6611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6369 0.2263 0.5069 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8810 -0.3483 -1.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0465 0.1166 -0.6638 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7326 -0.7795 0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8304 -0.4171 0.8689 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2136 0.9095 0.8015 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5554 1.8443 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4646 1.4244 -0.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3094 -1.5739 0.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5557 -1.4566 0.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8920 -1.0151 1.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5066 0.7925 1.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3826 0.1948 0.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3700 1.6791 -0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1576 1.4198 -1.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7991 0.3082 -2.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0748 -1.3751 -1.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4160 -1.8172 0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3434 -1.1567 1.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0700 1.2018 1.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8577 2.8893 -0.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9092 2.1148 -1.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7533 -2.4796 0.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9619 -2.2721 1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 5 16 1 0 16 17 2 0 17 2 1 0 15 10 1 0 1 18 1 0 1 19 1 0 1 20 1 0 3 21 1 0 4 22 1 0 9 23 1 0 9 24 1 0 11 25 1 0 12 26 1 0 13 27 1 0 14 28 1 0 15 29 1 0 16 30 1 0 17 31 1 0 M END