7-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methoxy-3-(2-oxidanylidenechromen-7-yl)oxy-chromen-2-one

Systemtic Name: 7-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-methoxy-3-(2-oxidanylidenechromen-7-yl)oxy-chromen-2-one Openeye Name: 6-methoxy-3-(2-oxochromen-7-yl)oxy-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one CAS Name: 6-methoxy-3-[(2-oxo-1-benzopyran-7-yl)oxy]-7-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-2-one IUPAC Name: 6-methoxy-3-(2-oxochromen-7-yl)oxy-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one Traditional Name: 3-(2-ketochromen-7-yl)oxy-6-methoxy-7-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-coumarin Formula: C25H22O12 MolecularWeight: 514.43498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)O2)OC3=CC4=C(C=C3)C=CC(=O)O4)OC5C(C(C(C(O5)CO)O)O)O

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)O2)OC3=CC4=C(C=C3)C=CC(=O)O4)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O

InChI

InChI=1S/C25H22O12/c1-32-16-6-12-7-18(33-13-4-2-11-3-5-20(27)34-14(11)8-13)24(31)35-15(12)9-17(16)36-25-23(30)22(29)21(28)19(10-26)37-25/h2-9,19,21-23,25-26,28-30H,10H2,1H3/t19-,21+,22+,23-,25-/m1/s1