Structure Database (LMSD)

Systematic Name
7,4'-Dihydroxy-3,6-dimethoxyflavone
Synonyms
LM ID
LMPK12111588
Formula
C17H14O6
Exact Mass
Calculate m/z
314.07904
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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)
KRIDIOAGUXDGIH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O6/c1-21-14-7-11-13(8-12(14)19)23-16(17(22-2)15(11)20)9-3-5-10(18)6-4-9/h3-8,18-19H,1-2H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC(O)=CC=3)=C(OC)C(=O)C=2C=C1OC

Other Databases

METABOLOMICS ID
FL5F2ANS0001
PubChem CID
12051258

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 264.50
Topological Polar Surface Area 89.13
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 3.79
Molar Refractivity 84.46

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