Chemical Components in the PDB

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PDBeChem : Molecule Descriptor

 Molecule : 28K

Encoding of molecule in descriptor string

Name

 InChI

Program

InChI

Version

1.03

Name

InChI=1S/C7H10O4/c1-5(8)7(4-11-7)3-2-6(9)10/h2-3,5,8H,4H2,1H3,(H,9,10)/b3-2+/t5?,7-/m0/s1