Structure Database (LMSD)

Common Name
Larycitrin 3-alpha-L-arabinofuranoside
Systematic Name
Synonyms
  • Myricetin 3' methyl ether 3-alpha-L-arabinofuranoside
LM ID
LMPK12112480
Formula
C21H20O12
Exact Mass
Calculate m/z
464.09548
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)
PTQHEZAXSFLGFW-IMYKZHQLSA-N
InChi (Click to copy)
InChI=1S/C21H20O12/c1-30-12-3-7(2-10(25)15(12)26)19-20(33-21-18(29)16(27)13(6-22)32-21)17(28)14-9(24)4-8(23)5-11(14)31-19/h2-5,13,16,18,21-27,29H,6H2,1H3/t13-,16-,18+,21-/m0/s1
SMILES (Click to copy)
C1C(OC)=C(O)C(O)=CC=1C1=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](CO)O2)C(=O)C2C(O)=CC(O)=CC=2O1

Other Databases

METABOLOMICS ID
FL5FAHGS0004
PubChem CID
102438664

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 374.08
Topological Polar Surface Area 201.58
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 12
logP 2.44
Molar Refractivity 112.17

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Created at
-
Updated at
13th Apr 2022