Structure Database (LMSD)

Common Name
Chalconaringenin 4-glucoside
Systematic Name
Synonyms
LM ID
LMPK12120247
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]
Chalcones and dihydrochalcones [PK1212]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
GAARAMNTPQAIOT-JSYAWONVSA-N
InChi (Click to copy)
InChI=1S/C21H22O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-12-4-1-10(2-5-12)3-6-13(24)17-14(25)7-11(23)8-15(17)26/h1-8,16,18-23,25-29H,9H2/b6-3+/t16-,18-,19+,20-,21-/m1/s1
SMILES (Click to copy)
C1(O)C=C(O)C(C(=O)/C=C/C2C=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC=2)=C(O)C=1

Other Databases

METABOLOMICS ID
FL1CAAGS0001
PubChem CID
42607601

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 379.76
Topological Polar Surface Area 179.21
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 10
logP 1.59
Molar Refractivity 108.69

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Updated at
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