2-Keto-D-Gluconic acid calcium salt http://gmd-dev.mpimp-golm.mpg.de/search.aspx?query=ba550ff2-38a7-4e83-ac3d-5c13f2f84924 48 44 0 1 0 0 0 0 0999 V2000 7.4651 1.3100 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 3.1350 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7953 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6613 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9292 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3933 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 1.8100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.3312 1.8100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.7331 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4651 5.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7953 1.8100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2690 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6613 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0010 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9292 1.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4030 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5273 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0632 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7331 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1972 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6719 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3322 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1244 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1288 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9258 2.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3322 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1982 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9303 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0021 5.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17 2 1 1 0 0 0 2 39 1 0 0 0 0 18 3 1 6 0 0 0 3 40 1 0 0 0 0 19 4 1 6 0 0 0 4 41 1 0 0 0 0 20 5 1 1 0 0 0 5 42 1 0 0 0 0 21 6 1 1 0 0 0 6 43 1 0 0 0 0 22 7 1 6 0 0 0 7 44 1 0 0 0 0 8 23 1 0 0 0 0 8 45 1 0 0 0 0 9 24 1 0 0 0 0 9 46 1 0 0 0 0 10 25 2 0 0 0 0 11 26 2 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 14 27 2 0 0 0 0 15 28 2 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 18 22 1 0 0 0 0 18 30 1 0 0 0 0 19 23 1 0 0 0 0 19 31 1 0 0 0 0 20 24 1 0 0 0 0 20 32 1 0 0 0 0 21 25 1 0 0 0 0 21 33 1 0 0 0 0 22 26 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 M CHG 3 1 2 12 -1 13 -1 M END