Structure Database (LMSD)

HO HO O HO O OH O O OH O OH
Common Name
Okanin 3,4-dimethyl ehter 4'-glucoside
Systematic Name
Synonyms
LM ID
LMPK12120173
Formula
C23H26O11
Exact Mass
Calculate m/z
478.147515
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)
FYXHSRBJYWBBHF-QUZQSYJISA-N
InChi (Click to copy)
InChI=1S/C23H26O11/c1-31-14-7-4-11(9-16(14)32-2)3-6-13(25)12-5-8-15(19(27)18(12)26)33-23-22(30)21(29)20(28)17(10-24)34-23/h3-9,17,20-24,26-30H,10H2,1-2H3/b6-3+/t17-,20-,21-,22-,23-/m1/s1
SMILES (Click to copy)
C1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C=CC(C(=O)/C=C/C2C=CC(OC)=C(OC)C=2)=C(O)C=1O

References

Taxonomy Information

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

Other Databases

CHEBI ID
186432
METABOLOMICS ID
FL1C3CGS0019
PubChem CID
42607573

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 3
Aromatic Rings 2
Rotatable Bonds 8
Van der Waals Molecular Volume 423.15
Topological Polar Surface Area 177.44
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 11
logP 1.91
Molar Refractivity 120.13

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Updated at
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