Structure Database (LMSD)

OH OH HO HO O O O
Systematic Name
4'-Hydroxychalcone 4'-glucoside
Synonyms
LM ID
LMPK12120187
Formula
C21H22O7
Exact Mass
Calculate m/z
386.136555
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

String Representations

InChiKey (Click to copy)
OWEQIVOUCFSICJ-IZZDOVSWSA-N
InChi (Click to copy)
InChI=1S/C21H22O7/c22-12-17-18(24)19(25)20(26)21(28-17)27-15-9-7-14(8-10-15)16(23)11-6-13-4-2-1-3-5-13/h1-11,17-22,24-26H,12H2/b11-6+
SMILES (Click to copy)
C1(OC2OC(CO)C(O)C(O)C2O)C=CC(C(=O)/C=C/C2C=CC=CC=2)=CC=1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL1C99GS0001
PubChem CID
23144947

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 353.39
Topological Polar Surface Area 118.52
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 2.48
Molar Refractivity 103.69

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Updated at
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