HMDB0247393 RDKit 3D (5S,6R)-Methyl 5,6,7-trihydroxyheptanoate 29 28 0 0 0 0 0 0 0 0999 V2000 3.4344 -0.0897 -2.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3867 0.3865 -1.1792 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5758 0.5481 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6865 0.2604 0.6761 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4312 1.0564 1.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -0.1288 1.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2145 -1.1120 0.7252 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8187 -0.5917 -0.2311 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1690 -1.7029 -1.0386 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0561 -0.0634 0.4659 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7634 1.0382 1.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0153 0.3714 -0.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1876 0.8700 -0.1228 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2883 -0.3758 -1.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6741 0.6713 -2.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0523 -1.0458 -2.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7883 1.6240 0.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8488 1.6767 1.8647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0095 0.1438 2.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 -0.6677 2.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0372 -1.6472 0.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3075 -1.9092 1.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4646 0.1827 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4303 -1.4074 -1.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5054 -0.8689 1.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3968 1.1470 2.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1989 -0.5451 -1.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4990 1.0951 -1.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9333 0.3293 -0.4746 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 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 1 14 1 0 1 15 1 0 1 16 1 0 5 17 1 0 5 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 8 23 1 0 9 24 1 0 10 25 1 0 11 26 1 0 12 27 1 0 12 28 1 0 13 29 1 0 M END