Structure Database (LMSD)

HO OH OH O O OH HO O O
Common Name
Naringenin 4'-O-alpha-L-rhamnopyranoside
Systematic Name
5,7,4'-Trihydroxyflavanone 4'-rhamnoside
Synonyms
LM ID
LMPK12140256
Formula
C21H22O9
Exact Mass
Calculate m/z
418.126385
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

String Representations

InChiKey (Click to copy)
SMIANZMWOZURTO-QHPBTUDUSA-N
InChi (Click to copy)
InChI=1S/C21H22O9/c1-9-18(25)19(26)20(27)21(28-9)29-12-4-2-10(3-5-12)15-8-14(24)17-13(23)6-11(22)7-16(17)30-15/h2-7,9,15,18-23,25-27H,8H2,1H3/t9-,15-,18-,19+,20+,21-/m0/s1
SMILES (Click to copy)
C1(O)C=C(O)C2C(=O)C[C@@H](C3C=CC(O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)=CC=3)OC=2C=1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2FAAGS0022
PubChem CID
42607919

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 361.25
Topological Polar Surface Area 150.05
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 9
logP 2.44
Molar Refractivity 104.07

Admin

Created at
-
Updated at
26th Oct 2021