HMDB0094762 RDKit 3D 5-hydroxyoct-4-enoylglycine 32 31 0 0 0 0 0 0 0 0999 V2000 -3.8604 1.3552 -1.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3498 0.0078 -0.6409 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1859 -0.9586 -0.7087 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1109 -0.4531 0.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3322 -0.2770 1.5318 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.1659 -0.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1694 0.3457 0.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3131 -0.6412 0.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4530 -0.2209 1.2856 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2631 -0.0875 2.6748 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5881 0.0150 0.7471 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7496 -0.1300 -0.6742 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1407 0.2310 -1.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9229 0.5850 -0.1245 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6135 0.1940 -2.3399 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3015 2.1882 -0.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1407 1.4460 -2.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7723 1.4088 -0.9867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6981 0.0689 0.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2081 -0.3284 -1.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5092 -1.9881 -0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7955 -1.0417 -1.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0870 0.3576 1.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 -0.2786 -1.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4656 1.3398 0.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1469 0.3714 1.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9705 -1.6282 0.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6350 -0.8374 -0.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8586 -0.8955 3.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0164 0.4885 -1.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5982 -1.2246 -0.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3567 0.7535 -2.6886 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 2 3 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 2 3 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 5 23 1 0 6 24 1 0 7 25 1 0 7 26 1 0 8 27 1 0 8 28 1 0 10 29 1 0 12 30 1 0 12 31 1 0 15 32 1 0 M END