5-azanyl-2-(3-methoxy-4-oxidanyl-phenyl)carbonyloxy-4-oxidanyl-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Systemtic Name: 5-azanyl-2-(3-methoxy-4-oxidanyl-phenyl)carbonyloxy-4-oxidanyl-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid Openeye Name: 5-amino-4-hydroxy-2-(4-hydroxy-3-methoxy-benzoyl)oxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid CAS Name: 5-amino-4-hydroxy-2-[(4-hydroxy-3-methoxyphenyl)-oxomethoxy]-6-(1,2,3-trihydroxypropyl)-2-oxanecarboxylic acid IUPAC Name: 5-amino-4-hydroxy-2-(4-hydroxy-3-methoxybenzoyl)oxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid Traditional Name: 5-amino-4-hydroxy-6-(1,2,3-trihydroxypropyl)-2-vanilloyloxy-tetrahydropyran-2-carboxylic acid Formula: C17H23NO11 MolecularWeight: 417.36462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC2(CC(C(C(O2)C(C(CO)O)O)N)O)C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC2(CC(C(C(O2)C(C(CO)O)O)N)O)C(=O)O)O

InChI

InChI=1S/C17H23NO11/c1-27-11-4-7(2-3-8(11)20)15(24)29-17(16(25)26)5-9(21)12(18)14(28-17)13(23)10(22)6-19/h2-4,9-10,12-14,19-23H,5-6,18H2,1H3,(H,25,26)