Structure Database (LMSD)

Systematic Name
5,7,2',3'-Tetrahydroxy-8,6'-dimethoxyflavone
Synonyms
LM ID
LMPK12111315
Formula
C17H14O8
Exact Mass
Calculate m/z
346.06887
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Biological Context

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
XSRVJYLKXRRMBY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O8/c1-23-11-4-3-7(18)15(22)14(11)12-6-9(20)13-8(19)5-10(21)16(24-2)17(13)25-12/h3-6,18-19,21-22H,1-2H3
SMILES (Click to copy)
C1(O)=C(OC)C2OC(C3C(OC)=CC=C(O)C=3O)=CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL3FF8NS0014
PubChem CID
21718608
NP-MRD ID(NMR)
NP0052348

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 282.08
Topological Polar Surface Area 129.59
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
logP 3.20
Molar Refractivity 87.79

Admin

Created at
-
Updated at
-