Identification

PhytoHub ID
PHUB000379
Name
Eriodictyol 7-O-glucoside
Synonyms
Not Available
CAS Number
Not Available
Average Mass
450.396
Monoisotopic Mass
450.116211528
Chemical Formula
C21H22O11
IUPAC Name
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
InChI Key
RAFHNDRXYHOLSH-MMQMLBMASA-N
InChI Identifier
InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2/t14?,16-,18-,19+,20-,21+/m1/s1
SMILES
OC[C@H]1O[C@H](OC2=CC(O)=C3C(=O)CC(OC3=C2)C2=CC(O)=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
Structure

Calculated Properties

Solubility (ALOGPS)
1.77e+00 g/l
LogS (ALOGPS)
-2.40
LogP (ALOGPS)
0.00
Hydrogen Acceptors
11
Hydrogen Donors
7
Rotatable Bond Count
4
Polar Surface Area
186.37
Refractivity
105.41510000000001
Polarizability
43.72565127124993
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-2.9810923437586574
pKa (strongest acidic)
8.536152802860736
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Taxonomy

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavanones

Spectra

Record IDSourceDescriptionView
PR040087MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 V, [M-H]-View Spectra
PR040088MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 V, [2M-H]-View Spectra
PR040089MassBankLC-ESI-QTOF Spectrum - 30 V, [M-H]-View Spectra
PR040090MassBankLC-ESI-QTOF Spectrum - 30 V, [2M-H]-View Spectra
PR040091MassBankLC-ESI-QTOF Spectrum - 30 V, [M+H]+View Spectra
PR040092MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 V, [M+H]+View Spectra
PR100239MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecifiedView Spectra
PR100655MassBankLC-ESI-QTOF Spectrum - Ramp 5-60 V, unspecifiedView Spectra

Food Sources

No food source information available

Metabolism

No metabolism information available

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