HMDB0094720 RDKit 3D 3-hydroxyhexanoylglycine 28 27 0 0 0 0 0 0 0 0999 V2000 -2.8406 1.4341 0.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0108 0.3301 -0.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4899 -0.9710 -0.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0493 -0.9880 0.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6845 -2.2513 0.7852 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1021 -0.6083 -0.7685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2773 -0.6870 -0.2122 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7328 -1.9088 0.2782 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0617 0.3188 -0.1653 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3796 0.2381 0.3676 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9826 1.5645 0.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1319 1.6707 1.0723 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2538 2.6958 0.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3668 1.0651 1.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2223 2.2698 0.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8092 1.8845 0.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5380 0.6777 -1.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0996 0.2579 -0.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6886 -1.7606 -0.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0858 -1.2424 0.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8548 -0.2874 1.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3074 -2.9104 0.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1219 -1.3659 -1.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2297 0.4100 -1.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5079 -2.7933 -0.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4032 -0.3162 1.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0887 -0.3348 -0.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6819 3.6085 0.3036 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 1 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 2 3 9 10 1 0 10 11 1 0 11 12 2 0 11 13 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 4 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 8 25 1 0 10 26 1 0 10 27 1 0 13 28 1 0 M END