Mol:BMCCPPCB0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
92103 0 0 1 0 0 0 0 0999 V2000
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S SKP 7
ID BMCCPPCB0007
NAME Aquacobalamin
FORMULA C62H90CoN13O15P
EXACTMASS 1346.5748
AVERAGEMASS 1347.3635
SMILES CC(C%10)OP(O[C@H]([C@H](O)1)[C@@H](O[C@H](n(c2)c(c%12)c(cc(C)c%12C)n2[Co+3](N=34)(N9=7)(N=56)(N(C%118)C([C@@](C)([C@H]%11CC(N)=O)CCC(N%10)=O)=C(C3[C@@H](C(C)(C)C(=CC([C@@H](CCC(=O)N)[C@](CC(=O)N)(C)C(=C(C)C7[C@@H](CCC(=O)N)[C@](CC(N)=O)(C)[C@@]89C)6)5)4)CCC(N)=O)C)O)1)CO)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00992
M END
