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

Systemtic Name: (2S,3S,4S,5R,6S)-6-[[2-(3-methoxy-4-oxidanyl-phenyl)-3,5-bis(oxidanyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chroman-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4S,5R,6S)-6-[[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4S,5R,6S)-6-[[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chroman-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid Formula: C22H24O12 MolecularWeight: 480.41876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(CC3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2C(CC3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)O

InChI

InChI=1S/C22H24O12/c1-31-15-4-8(2-3-11(15)23)19-13(25)7-10-12(24)5-9(6-14(10)33-19)32-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,13,16-20,22-28H,7H2,1H3,(H,29,30)/t13?,16-,17-,18+,19?,20-,22+/m0/s1