Structure Database (LMSD)

Common Name
6-Hydroxy-5,7,4'-trimethoxyflavone
Systematic Name
Synonyms
LM ID
LMPK12111170
Formula
C18H16O6
Exact Mass
Calculate m/z
328.09469
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)
XYHIVQHSXGOAQP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(24-13)9-15(22-2)17(20)18(16)23-3/h4-9,20H,1-3H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC(OC)=CC=3)OC=1C=C(OC)C(O)=C2OC

Other Databases

KEGG ID
C14985
HMDB ID
HMDB0128576
CHEBI ID
79509
METABOLOMICS ID
FL3FEANS0012
PubChem CID
243760

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 281.80
Topological Polar Surface Area 78.13
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 4.09
Molar Refractivity 89.35

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Updated at
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