HMDB0040226 RDKit 3D 2-Methyl-1-phenyl-2-propanyl butyrate 36 36 0 0 0 0 0 0 0 0999 V2000 4.2424 1.6765 -0.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5863 0.2209 -0.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6164 -0.4229 0.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2228 -0.3635 0.1298 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0076 0.1790 -0.9797 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1844 -0.8957 0.8602 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1715 -0.8998 0.4905 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9178 -1.6222 1.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4344 -1.6569 -0.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6596 0.5260 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0857 0.5977 -0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0363 0.6267 0.9673 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4009 0.6944 0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8028 0.7325 -0.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8747 0.7049 -1.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5155 0.6372 -1.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0521 1.9000 -1.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0290 2.3638 -0.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2908 1.8774 -0.0148 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6134 0.1992 0.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5617 -0.2967 -1.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9248 -1.4663 0.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6332 0.1420 1.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8952 -1.9821 1.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3032 -2.5216 1.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0067 -1.0183 2.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5197 -1.8436 -0.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1395 -1.0218 -1.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1349 -2.6125 -0.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4781 1.0414 1.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0087 1.0493 -0.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7904 0.5994 2.0233 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1344 0.7163 1.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8764 0.7856 -0.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2208 0.7363 -2.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8276 0.6176 -2.1396 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 7 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 11 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 8 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 12 32 1 0 13 33 1 0 14 34 1 0 15 35 1 0 16 36 1 0 M END