HMDB0059678 RDKit 3D 1-Hydroxy-2-pentanone 17 16 0 0 0 0 0 0 0 0999 V2000 2.1085 0.3367 -0.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4669 0.0284 0.6716 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0225 0.2220 0.6922 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7222 -0.6356 -0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0561 -1.3781 -0.9957 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2018 -0.5506 -0.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6842 0.3774 0.5277 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4431 0.3424 -1.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8847 -0.4540 -0.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 1.2962 -0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6614 -1.0220 0.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8901 0.7253 1.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3772 -0.1052 1.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3358 1.2786 0.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4859 -0.2558 -1.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6937 -1.5253 -0.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5773 1.3198 0.2101 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 1 8 1 0 1 9 1 0 1 10 1 0 2 11 1 0 2 12 1 0 3 13 1 0 3 14 1 0 6 15 1 0 6 16 1 0 7 17 1 0 M END