Structure Database (LMSD)

Common Name
Laricitrin 7-glucoside
Systematic Name
Synonyms
LM ID
LMPK12112478
Formula
C22H22O13
Exact Mass
Calculate m/z
494.106045
Status
Active
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)
MIXPHKVHUNRPCY-ROSPJSJWSA-N
InChi (Click to copy)
InChI=1S/C22H22O13/c1-32-12-3-7(2-10(25)15(12)26)21-19(30)17(28)14-9(24)4-8(5-11(14)34-21)33-22-20(31)18(29)16(27)13(6-23)35-22/h2-5,13,16,18,20,22-27,29-31H,6H2,1H3/t13-,16-,18+,20-,22-/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=C(OC)C(O)=C(O)C=3)=C(O)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FAHGS0002
PubChem CID
5491649

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 4
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 400.17
Topological Polar Surface Area 221.81
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 13
logP 2.09
Molar Refractivity 118.68

Admin

Created at
-
Updated at
11th Nov 2021