(2R)-2-[[3,4-bis(oxidanyl)phenyl]methyl]-4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,6-bis(oxidanyl)-1-benzofuran-3-one

Systemtic Name: (2R)-2-[[3,4-bis(oxidanyl)phenyl]methyl]-4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,6-bis(oxidanyl)-1-benzofuran-3-one Openeye Name: (2R)-2-[(3,4-dihydroxyphenyl)methyl]-2,6-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-benzofuran-3-one CAS Name: (2R)-2-[(3,4-dihydroxyphenyl)methyl]-2,6-dihydroxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-benzofuranone IUPAC Name: (2R)-2-[(3,4-dihydroxyphenyl)methyl]-2,6-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one Traditional Name: (2R)-2,6-dihydroxy-2-protocatechuyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-coumaran-3-one Formula: C21H22O12 MolecularWeight: 466.39218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC2(C(=O)C3=C(C=C(C=C3O2)O)OC4C(C(C(C(O4)CO)O)O)O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1C[C@@]2(C(=O)C3=C(C=C(C=C3O2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O

InChI

InChI=1S/C21H22O12/c22-7-14-16(26)17(27)18(28)20(32-14)31-12-4-9(23)5-13-15(12)19(29)21(30,33-13)6-8-1-2-10(24)11(25)3-8/h1-5,14,16-18,20,22-28,30H,6-7H2/t14-,16-,17+,18-,20-,21-/m1/s1