Structure Database (LMSD)

Common Name
Eriodictyol 7-O-glucoside
Systematic Name
Synonyms
LM ID
LMPK12140362
Formula
Exact Mass
Calculate m/z
450.116215
Status
Active


Classification

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
RAFHNDRXYHOLSH-SFTVRKLSSA-N
InChi (Click to copy)
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+/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2O[C@H](C3C=C(O)C(O)=CC=3)CC(=O)C=2C(O)=C1

Other Databases

CHEBI ID
METABOLOMICS ID
PubChem CID
GuidePharm ID

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 378.83
Topological Polar Surface Area 190.51
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 11
logP 1.41
Molar Refractivity 107.64

Admin

Created at
-
Updated at
9th Jun 2022