Mol:BMSUD2NfCC01
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 33 0 0 1 0 0 0 0 0999 V2000 6.3301 -1.6830 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 -2.6830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -3.1830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 -2.6830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 -1.6830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9282 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3170 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 0.3170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -0.1830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 0.3170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 1.3170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 1.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.1830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.3170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 2.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 4.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11 27 1 6 0 0 0 27 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 7 19 1 4 0 0 0 8 20 1 1 0 0 0 9 25 1 6 0 0 0 10 26 1 1 0 0 0 12 28 1 0 0 0 0 18 6 1 0 0 0 0 5 16 1 6 0 0 0 16 1 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 25 1 4 0 0 0 2 13 1 1 0 0 0 3 14 1 6 0 0 0 4 15 1 1 0 0 0 6 17 2 0 0 0 0 20 21 1 0 0 0 0 21 24 2 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 32 1 0 0 0 0 29 31 2 0 0 0 0 S SKP 7 ID BMSUD2NfCC01 NAME 3-D-Glucuronosyl-N2,6-disulfo-D-glucosamine FORMULA C12H21NO17S2 EXACTMASS 515.025 AVERAGEMASS 515.4236 SMILES OC(=O)[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)C1O[C@@H]([C@H](O)2)[C@H](C(O)O[C@H](COS(O)(=O)=O)2)NS(O)(=O)=O KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04674 M END