Structure Database (LMSD)

Common Name
Apigenin 5,7-dimethyl ether 4'-galactoside
Systematic Name
Synonyms
LM ID
LMPK12111013
Formula
C23H24O10
Exact Mass
Calculate m/z
460.13695
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

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)
UNGVNKDKEMZSGJ-YDXQKAQTSA-N
InChi (Click to copy)
InChI=1S/C23H24O10/c1-29-13-7-16(30-2)19-14(25)9-15(32-17(19)8-13)11-3-5-12(6-4-11)31-23-22(28)21(27)20(26)18(10-24)33-23/h3-9,18,20-24,26-28H,10H2,1-2H3/t18-,20+,21+,22-,23-/m1/s1
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC(O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O4)=CC=3)=CC(=O)C=2C(OC)=C1

Other Databases

METABOLOMICS ID
FL3FCAGS0004
PubChem CID
44258356

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 391.10
Topological Polar Surface Area 150.12
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 10
logP 3.27
Molar Refractivity 118.58

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Created at
-
Updated at
19th Oct 2021