Showing entry for Formononetin 7-O-glucuronide

PhytoHub ID

PHUB001362

Name

Formononetin 7-O-glucuronide

Synonyms

Not Available

CAS Number

Not Available

Average Mass

460.435

Monoisotopic Mass

460.136946973

Chemical Formula

C₂₃H₂₄O₁₀

IUPAC Name

(1S,2R,3S,4R,5R)-2,3,4-trihydroxy-5-{[5-hydroxy-3-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1-benzopyran-7-yl]oxy}cyclohexane-1-carboxylic acid

InChI Key

UVZMCLOUNSXDMB-WWRSYIAVSA-N

InChI Identifier

InChI=1S/C23H24O10/c1-31-11-4-2-10(3-5-11)14-9-32-16-7-12(6-15(24)18(16)19(14)25)33-17-8-13(23(29)30)20(26)22(28)21(17)27/h2-7,13-14,17,20-22,24,26-28H,8-9H2,1H3,(H,29,30)/t13-,14?,17+,20+,21-,22-/m0/s1

SMILES

COC1=CC=C(C=C1)C1COC2=C(C(O)=CC(O[[email protected]@H]3C[[email protected]@H]([[email protected]@H](O)[[email protected]](O)[[email protected]]3O)C(O)=O)=C2)C1=O

Structure

MOLSDFPDBSMILESInChI

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Structure for Formononetin 7-O-glucuronide

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