Structure Database (LMSD)

Common Name
Okanin 4-methyl ether 4'-glucoside
Systematic Name
3,2',3',4'-Tetrahydroxy-4-methoxychalcone 4'-glucoside
Synonyms
LM ID
LMPK12120169
Formula
C22H24O11
Exact Mass
Calculate m/z
464.131866
Status
Curated
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/
Bidens torta (#980026)
Magnoliopsida (#3398)
Methylated Chalcones from Bidens torta,
Phytochemistry, 1984

String Representations

InChiKey (Click to copy)
QUGFZLLBKBSAGW-CVOAYDCWSA-N
InChi (Click to copy)
InChI=1S/C22H24O11/c1-31-14-6-3-10(8-13(14)25)2-5-12(24)11-4-7-15(18(27)17(11)26)32-22-21(30)20(29)19(28)16(9-23)33-22/h2-8,16,19-23,25-30H,9H2,1H3/b5-2+/t16-,19-,20+,21-,22-/m1/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=CC(C(=O)/C=C/C2C=CC(OC)=C(O)C=2)=C(O)C=1O

Other Databases

METABOLOMICS ID
FL1C3CGS0015
PubChem CID
162670212

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 3
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 405.85
Topological Polar Surface Area 188.44
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 11
logP 1.60
Molar Refractivity 115.24

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Created at
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Updated at
13th Jan 2026