(2S,3S,4R,5R,6S)-6-[2-(4-hydroxyphenyl)-3,5,8-tris(oxidanyl)-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Systemtic Name: (2S,3S,4R,5R,6S)-6-[2-(4-hydroxyphenyl)-3,5,8-tris(oxidanyl)-4-oxidanylidene-chromen-7-yl]oxy-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid Openeye Name: (2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[3,5,8-trihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-tetrahydropyran-2-carboxylic acid CAS Name: (2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[3,5,8-trihydroxy-2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-7-yl]oxy]-2-oxanecarboxylic acid IUPAC Name: (2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[3,5,8-trihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid Traditional Name: (2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[3,5,8-trihydroxy-2-(4-hydroxyphenyl)-4-keto-chromen-7-yl]oxy-tetrahydropyran-2-carboxylic acid Formula: C21H18O13 MolecularWeight: 478.35982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)O

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=O)C3=C(O2)C(=C(C=C3O)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/C21H18O13/c22-7-3-1-6(2-4-7)17-14(27)12(25)10-8(23)5-9(11(24)18(10)33-17)32-21-16(29)13(26)15(28)19(34-21)20(30)31/h1-5,13,15-16,19,21-24,26-29H,(H,30,31)/t13-,15+,16-,19+,21-/m1/s1