Structure Database (LMSD)

Common Name
Naringenin 4'-O-galactoside
Systematic Name
Synonyms
LM ID
LMPK12140243
Formula
C21H22O10
Exact Mass
Calculate m/z
434.1213
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
KSDSYIXRWHRPMN-HGAFHURDSA-N
InChi (Click to copy)
InChI=1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-3-1-9(2-4-11)14-7-13(25)17-12(24)5-10(23)6-15(17)30-14/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18-,19-,20+,21+/m0/s1
SMILES (Click to copy)
C1(O)=CC2O[C@H](C3C=CC(O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O4)=CC=3)CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL2FAAGS0009
PubChem CID
42607907

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 370.04
Topological Polar Surface Area 170.28
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 10
logP 1.70
Molar Refractivity 105.98

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Created at
-
Updated at
13th Apr 2022