Structure Database (LMSD)

Common Name
Vitexin
Systematic Name
8-D-Glucosyl-4',5,7-trihydroxyflavone
Synonyms
  • Apigenin 8-C-glucoside
LM ID
LMPK12110194
Formula
C21H20O10
Exact Mass
Calculate m/z
432.10565
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
SGEWCQFRYRRZDC-VPRICQMDSA-N
InChi (Click to copy)
InChI=1S/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15)16)8-1-3-9(23)4-2-8/h1-6,14,17-19,21-25,27-29H,7H2/t14-,17-,18+,19-,21+/m1/s1
SMILES (Click to copy)
C1(O)=C([C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)C2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1

Other Databases

Wikipedia
Vitexin
KEGG ID
C01460
CHEBI ID
16954
METABOLOMICS ID
FL3FAACS0001
PubChem CID
5280441

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 356.50
Topological Polar Surface Area 183.12
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 10
logP 2.42
Molar Refractivity 108.28

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Created at
-
Updated at
4th Jun 2021