HMDB0036386 RDKit 3D 1-Phenylpropyl butyrate 33 33 0 0 0 0 0 0 0 0999 V2000 3.9866 -0.7394 0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5504 0.5123 -0.6717 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8274 1.3934 0.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6844 0.6657 0.8912 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6613 0.3687 2.1142 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 0.2480 0.1617 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5049 -0.4449 0.7383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5512 -1.8961 0.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6951 -2.1001 -1.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7651 0.2534 0.5445 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8198 1.6194 0.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9887 2.3273 0.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1268 1.6561 0.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0592 0.2819 -0.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8843 -0.4201 0.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1256 -1.4406 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8248 -1.2242 -0.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1499 -0.5422 1.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8765 0.2801 -1.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4183 1.0729 -1.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5178 1.6459 1.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5091 2.3483 -0.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2857 -0.5085 1.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3459 -2.3749 0.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4341 -2.3358 0.6333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2371 -2.5324 -1.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9435 -1.1916 -1.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4673 -2.9109 -1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9339 2.1920 1.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0332 3.3957 0.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0903 2.1443 0.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9623 -0.2671 -0.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9171 -1.4765 -0.0089 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 8 9 1 0 7 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 2 20 1 0 3 21 1 0 3 22 1 0 7 23 1 0 8 24 1 0 8 25 1 0 9 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