Structure Database (LMSD)

Systematic Name
5-Hydroxy-7,4'-dimethoxy-6,8-di-C-prenylflavanone 5-O-galactoside
Synonyms
LM ID
LMPK12140572
Formula
C25H30O10
Exact Mass
Calculate m/z
490.1839
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
AQXMPPOEJPDCFL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H30O10/c1-11-22(32-4)12(2)24(35-25-21(30)20(29)19(28)17(10-26)34-25)18-15(27)9-16(33-23(11)18)13-5-7-14(31-3)8-6-13/h5-8,16-17,19-21,25-26,28-30H,9-10H2,1-4H3
SMILES (Click to copy)
C1(OC)=C(C)C2OC(C3C=CC(OC)=CC=3)CC(=O)C=2C(OC2OC(CO)C(O)C(O)C2O)=C1C

Other Databases

CHEBI ID
169069
METABOLOMICS ID
FL2FCBGM0001
PubChem CID
42608074

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 4
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 439.24
Topological Polar Surface Area 148.28
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 10
logP 2.92
Molar Refractivity 125.22

Admin

Created at
-
Updated at
-