Structure Database (LMSD)

O OH OH O OH O O HO OH HO O
Common Name
Hesperetin 7-O-glucoside
Systematic Name
Synonyms
LM ID
LMPK12140378
Formula
C22H24O11
Exact Mass
Calculate m/z
464.131865
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)
ADSYMQORONDIDD-ZJHVPRRPSA-N
InChi (Click to copy)
InChI=1S/C22H24O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,15,17,19-25,27-29H,7-8H2,1H3/t15-,17+,19+,20-,21+,22+/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(OC)=CC=3)CC(=O)C=2C(O)=C1

References

Taxonomy Information

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

Other Databases

KEGG ID
C16422
HMDB ID
HMDB0030747
CHEBI ID
59015
METABOLOMICS ID
FL2FAEGS0004
PubChem CID
147394

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 396.13
Topological Polar Surface Area 179.51
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 11
logP 1.71
Molar Refractivity 112.53

Admin

Created at
-
Updated at
9th Jun 2022