Structure Database (LMSD)

Common Name
Eriodictyol 5,4'-dimethyl ether 7-O-glucoside
Systematic Name
7,3'-dihydroxy-5,4'-dimethoxyflavanone 7-O-glucoside
Synonyms
LM ID
LMPK12140562
Formula
C23H26O11
Exact Mass
Calculate m/z
478.147515
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
PKYDZNNHKUQLGS-HJEVIKEQSA-N
InChi (Click to copy)
InChI=1S/C23H26O11/c1-30-14-4-3-10(5-12(14)25)15-8-13(26)19-16(31-2)6-11(7-17(19)33-15)32-23-22(29)21(28)20(27)18(9-24)34-23/h3-7,15,18,20-25,27-29H,8-9H2,1-2H3/t15?,18-,20-,21+,22-,23-/m1/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=C(O)C(OC)=CC=3)CC(=O)C=2C(OC)=C1

Other Databases

METABOLOMICS ID
FL2FBEGS0001
PubChem CID
42608068

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 4
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 413.43
Topological Polar Surface Area 168.51
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 11
logP 2.01
Molar Refractivity 117.41

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Created at
-
Updated at
31st May 2024