HMDB0013898 RDKit 3D 5-Hydroxyvalproic acid 27 26 0 0 0 0 0 0 0 0999 V2000 -3.2126 0.6301 0.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4838 -0.1368 -0.8283 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0343 0.3541 -0.8379 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 0.0951 0.5355 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 0.5572 0.5751 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8978 -0.1043 -0.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2881 0.4748 -0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2093 -0.0720 -1.1105 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6295 -1.2875 0.9809 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2484 -1.6056 2.0294 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1201 -2.3254 0.2102 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7450 1.6382 0.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2616 0.7924 -0.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2453 0.1124 1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5200 -1.2147 -0.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9225 -0.0461 -1.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0522 1.4360 -1.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5018 -0.1926 -1.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0003 0.7532 1.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 1.6465 0.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3960 0.3257 1.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9862 -1.2007 -0.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5655 0.1055 -1.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6570 0.3493 0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2627 1.5884 -0.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6001 0.5953 -1.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4671 -3.2685 0.2426 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 5 6 1 0 6 7 1 0 7 8 1 0 4 9 1 0 9 10 2 0 9 11 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 8 26 1 0 11 27 1 0 M END