Structure Database (LMSD)

Systematic Name
5,3',4'-Trihydroxy-7-methoxy-6-methylflavone
Synonyms
LM ID
LMPK12111041
Formula
C17H14O6
Exact Mass
Calculate m/z
314.07904
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)
IEWYZZQKRHHVND-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O6/c1-8-13(22-2)7-15-16(17(8)21)12(20)6-14(23-15)9-3-4-10(18)11(19)5-9/h3-7,18-19,21H,1-2H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC(O)=C(O)C=3)OC=1C=C(OC)C(C)=C2O

Other Databases

METABOLOMICS ID
FL3FCCNM0001
PubChem CID
10358252

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 264.50
Topological Polar Surface Area 100.13
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 3.79
Molar Refractivity 84.31

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