Structure Database (LMSD)

OH OH OH O O HO HO HO NH 2 O O O
Common Name
Isorhamnetin 7-alpha-D-Glucosamine
Systematic Name
Synonyms
  • Quercetin 3'-methyl ether 7-alpha-D-Glucosamine
LM ID
LMPK12112391
Formula
C22H23NO11
Exact Mass
Calculate m/z
477.127114
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
PDOICZRLIROUNN-AOMQBQPUSA-N
InChi (Click to copy)
InChI=1S/C22H23NO11/c1-31-12-4-8(2-3-10(12)25)21-20(30)18(28)15-11(26)5-9(6-13(15)33-21)32-22-16(23)19(29)17(27)14(7-24)34-22/h2-6,14,16-17,19,22,24-27,29-30H,7,23H2,1H3/t14-,16-,17-,19-,22+/m1/s1
SMILES (Click to copy)
C1C(OC)=C(O)C=CC=1C1=C(O)C(=O)C2C(O)=CC(O[C@@H]3[C@H](N)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2O1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL5FADGSN001
PubChem CID
44259405

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 4
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 393.59
Topological Polar Surface Area 207.37
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 12
logP 2.35
Molar Refractivity 118.99

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Created at
-
Updated at
3rd Jan 2022