HMDB0032128 RDKit 3D 1-(2,4-Dihydroxyphenyl)-1-butanone 25 25 0 0 0 0 0 0 0 0999 V2000 3.6575 -0.0690 0.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9963 -0.5547 -0.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5487 -0.1074 -0.8677 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7237 -0.5968 0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1775 -1.3006 1.1805 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6973 -0.2732 0.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4667 -0.7425 1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8016 -0.4356 1.3583 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3634 0.3295 0.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7022 0.6267 0.3978 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6055 0.7861 -0.6885 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2543 0.4895 -0.7449 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5315 0.9774 -1.8184 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2941 -0.8522 0.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9293 0.2412 1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3083 0.8161 0.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5274 -0.0625 -1.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 -1.6447 -0.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5802 0.9852 -0.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1786 -0.5541 -1.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0054 -1.3380 2.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3690 -0.8160 2.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1549 1.1828 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0719 1.3896 -1.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 1.5233 -2.5121 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 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 12 6 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 3 20 1 0 7 21 1 0 8 22 1 0 10 23 1 0 11 24 1 0 13 25 1 0 M END