(2S,3S,4S,5R,6S)-6-[[(2R,3R)-2-[3,4-bis(oxidanyl)phenyl]-3,7-bis(oxidanyl)-3,4-dihydro-2H-chromen-5-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4S,5R,6S)-6-[[(2R,3R)-2-[3,4-bis(oxidanyl)phenyl]-3,7-bis(oxidanyl)-3,4-dihydro-2H-chromen-5-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6S)-6-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chroman-5-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6S)-6-[[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-5-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6S)-6-[[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-5-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6S)-6-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chroman-5-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C21H22O12 MolecularWeight: 466.39218

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC2=CC(=CC(=C21)OC3C(C(C(C(O3)C(=O)O)O)O)O)O)C4=CC(=C(C=C4)O)O)O

Isomeric SMILES

C1[C@H]([C@H](OC2=CC(=CC(=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)C4=CC(=C(C=C4)O)O)O

InChI

InChI=1S/C21H22O12/c22-8-4-13-9(6-12(25)18(31-13)7-1-2-10(23)11(24)3-7)14(5-8)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,12,15-19,21-28H,6H2,(H,29,30)/t12-,15+,16+,17-,18-,19+,21-/m1/s1