Structure Database (LMSD)

Common Name
Wogonin 7-glucuronide
Systematic Name
Synonyms
LM ID
LMPK12111323
Formula
C22H20O11
Exact Mass
Calculate m/z
460.100565
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
LNOHXHDWGCMVCO-NTKSAMNMSA-N
InChi (Click to copy)
InChI=1S/C22H20O11/c1-30-18-13(32-22-17(27)15(25)16(26)20(33-22)21(28)29)8-11(24)14-10(23)7-12(31-19(14)18)9-5-3-2-4-6-9/h2-8,15-17,20,22,24-27H,1H3,(H,28,29)/t15-,16-,17+,20-,22+/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O2)=C(OC)C2OC(C3C=CC=CC=3)=CC(=O)C=2C(O)=C1

Other Databases

CHEBI ID
61282
METABOLOMICS ID
FL3FF9GS0005
PubChem CID
3084961

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 379.95
Topological Polar Surface Area 178.19
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 11
logP 2.78
Molar Refractivity 113.75

Admin

Created at
-
Updated at
3rd Nov 2021