Structure Database (LMSD)

Common Name
Ermanin 7-glucoside
Systematic Name
5,7-Dihydroxy-3,4'-dimethoxyflavone 7-glucoside
Synonyms
LM ID
LMPK12112692
Formula
C23H24O11
Exact Mass
Calculate m/z
476.131865
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/
Asplenium platyneuron (#210162)
Polypodiopsida (#241806)
Species-specific kaempferol derivatives in ferns of the appalachian Asplenium complex,
Biochem Syst Ecol, 1973

String Representations

InChiKey (Click to copy)
ZRARLHYGVFWDGL-BPAZWDACSA-N
InChi (Click to copy)
InChI=1S/C23H24O11/c1-30-11-5-3-10(4-6-11)21-22(31-2)18(27)16-13(25)7-12(8-14(16)33-21)32-23-20(29)19(28)17(26)15(9-24)34-23/h3-8,15,17,19-20,23-26,28-29H,9H2,1-2H3/t15-,17-,19+,20-,23-/m1/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=CC(OC)=CC=3)=C(OC)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FDBGS0001
PubChem CID
14334856

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 4
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 399.89
Topological Polar Surface Area 170.35
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 11
logP 2.98
Molar Refractivity 120.24

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Created at
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Updated at
4th Jun 2024