HMDB0000355 RDKit 3D 3-Hydroxymethylglutaric acid 21 20 0 0 0 0 0 0 0 0999 V2000 -0.2537 1.0361 -1.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0018 -0.1340 -0.6708 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1538 -1.1921 -1.7139 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -0.2263 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7498 0.8221 0.8872 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1617 1.8929 1.0942 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9446 0.6400 1.5902 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1052 -0.6915 0.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8242 0.1036 1.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7311 1.3111 1.3537 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8015 -0.5708 1.8495 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5155 1.9691 -1.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6801 1.2509 -2.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0179 0.7906 -2.3122 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6842 -1.1227 -2.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3737 -1.1993 0.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1661 -0.3866 -0.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6328 -0.0496 1.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9155 -1.1549 -0.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7466 -1.6272 0.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5830 -1.4614 2.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 2 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 3 15 1 0 4 16 1 0 4 17 1 0 7 18 1 0 8 19 1 0 8 20 1 0 11 21 1 0 M END