HMDB0038180 RDKit 3D 2-(2-Hydroxy-4-methylphenyl)-3-pentanone 30 30 0 0 0 0 0 0 0 0999 V2000 3.6493 1.4063 0.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 0.9279 0.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1659 -0.4901 0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2414 -1.0983 0.4388 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9509 -1.4130 0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1945 -2.2708 -0.9665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2972 -0.7155 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6912 -0.1175 -1.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8716 0.6067 -1.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7099 0.7671 -0.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9865 1.5144 -0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 0.1645 1.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1511 -0.5469 1.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 -1.1240 2.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7575 2.4881 0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1821 0.9261 -0.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1112 0.9461 1.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4974 1.5323 0.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9211 1.1220 -1.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9796 -2.0343 1.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5755 -1.9648 -1.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8972 -3.3451 -0.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2553 -2.3477 -1.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0966 -0.1711 -1.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1562 1.0865 -2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0526 2.2268 0.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7718 0.7103 0.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1753 2.0009 -1.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9803 0.2756 1.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4772 -1.0624 3.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 13 7 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 6 23 1 0 8 24 1 0 9 25 1 0 11 26 1 0 11 27 1 0 11 28 1 0 12 29 1 0 14 30 1 0 M END