HMDB0035008 RDKit 3D 3-Methylbutyl phenylacetate 33 33 0 0 0 0 0 0 0 0999 V2000 4.2375 1.4850 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2044 0.0090 0.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2668 -0.7827 -1.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9497 -0.3433 0.8289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7008 0.0626 0.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5895 -0.3075 0.8439 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7213 -0.0865 0.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8923 0.4600 -0.6633 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7972 -0.5137 1.3523 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1439 -0.2515 0.8684 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7760 -1.2189 0.1146 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0634 -1.0264 -0.3761 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7180 0.1379 -0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0903 1.1133 0.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8148 0.9251 1.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8970 1.9784 0.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2567 1.8239 -0.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5077 1.7578 -0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0608 -0.2768 0.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9231 -0.1734 -2.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6582 -1.6881 -1.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3026 -1.0667 -1.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9911 0.2042 1.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9661 -1.4199 1.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7620 1.1674 -0.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6831 -0.3802 -0.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6749 -1.6105 1.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6731 -0.0541 2.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3174 -2.1705 -0.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5413 -1.8070 -0.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7137 0.3125 -0.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6418 2.0182 0.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3774 1.7227 1.7162 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 1 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 15 10 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 9 27 1 0 9 28 1 0 11 29 1 0 12 30 1 0 13 31 1 0 14 32 1 0 15 33 1 0 M END