476 -OEChem-03192407042D 27 26 0 1 0 0 0 0 0999 V2000 3.4030 -0.0000 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3671 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 -1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6771 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9040 -0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 0.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6771 1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 2 9 1 0 0 0 0 2 24 1 0 0 0 0 3 13 1 0 0 0 0 4 14 1 0 0 0 0 4 25 1 0 0 0 0 5 14 2 0 0 0 0 6 26 1 0 0 0 0 7 27 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 M END > 476 > 1 > 247 > 7 > 4 > 6 > AAADccBgOAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACCAADESggAICCAAAAxAIQACQCIAAAAAAAAAAAAEAAAAAABYAAAAAQAAFIAAAAACIJAAKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 3-hydroxy-3-methyl-5-phosphonooxy-pentanoic acid > 3-hydroxy-3-methyl-5-phosphonooxypentanoic acid > 3-hydroxy-3-methyl-5-phosphonooxypentanoic acid > 3-hydroxy-3-methyl-5-phosphonooxypentanoic acid > 3-methyl-3-oxidanyl-5-phosphonooxy-pentanoic acid > 3-hydroxy-3-methyl-5-phosphonooxy-valeric acid > InChI=1S/C6H13O7P/c1-6(9,4-5(7)8)2-3-13-14(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H2,10,11,12) > OKZYCXHTTZZYSK-UHFFFAOYSA-N > -2.1 > 228.03988975 > C6H13O7P > 228.14 > CC(CCOP(=O)(O)O)(CC(=O)O)O > CC(CCOP(=O)(O)O)(CC(=O)O)O > 124 > 228.03988975 > 0 > 14 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 9 2 3 $$$$