Structure Database (LMSD)

O O O OH HO HO O HO HO O O
Common Name
Eriodictyol 3',4'-dimethyl ether 5-O-glucoside
Systematic Name
5,7-Dihydroxy-3',4'-dimethoxyflavanone 5-O-glucoside
Synonyms
LM ID
LMPK12140386
Formula
C23H26O11
Exact Mass
Calculate m/z
478.147515
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
JPYIPXMUZNPMBC-ZEXLCLIVSA-N
InChi (Click to copy)
InChI=1S/C23H26O11/c1-30-13-4-3-10(5-15(13)31-2)14-8-12(26)19-16(32-14)6-11(25)7-17(19)33-23-22(29)21(28)20(27)18(9-24)34-23/h3-7,14,18,20-25,27-29H,8-9H2,1-2H3/t14?,18-,20-,21+,22-,23-/m1/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(OC)C(OC)=CC=3)CC(=O)C=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Hoppea dichotoma (#84897)
Magnoliopsida (#3398)
New glycoxanthones and flavanone glycosides of Hoppea dichotoma,
Phytochemistry, 1978

Other Databases

METABOLOMICS ID
FL2FAFGS0001
PubChem CID
42607987

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
5th Jun 2024