HMDB0031569 RDKit 3D 4-Methyl-1-phenyl-2-pentanone 29 29 0 0 0 0 0 0 0 0999 V2000 2.5963 1.4876 -0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9650 0.0226 -0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8959 -0.5121 -1.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 -0.7433 0.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6372 -0.6701 0.3424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2932 -1.0334 -0.7781 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3859 -0.1500 1.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7403 -0.1396 0.7222 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6951 -1.1197 0.8934 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9451 -1.0319 0.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2747 0.0614 -0.4307 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3475 1.0758 -0.6328 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1197 0.9498 -0.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0791 1.8209 0.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5149 2.0747 -0.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9628 1.6605 -1.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9971 -0.0741 0.2023 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8295 -0.1483 -2.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0225 -0.0483 -2.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -1.6040 -1.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1658 -0.3473 1.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4368 -1.7876 0.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1084 0.9257 1.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3555 -0.7407 2.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 -1.9750 1.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6769 -1.8023 0.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2646 0.1571 -0.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6141 1.9380 -1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4066 1.7536 -0.2268 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 2 0 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 8 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 7 23 1 0 7 24 1 0 9 25 1 0 10 26 1 0 11 27 1 0 12 28 1 0 13 29 1 0 M END