Structure Database (LMSD)

Common Name
Methylgnaphaliin
Systematic Name
5-Hydroxy-3,7,8-trimethoxyflavone
Synonyms
LM ID
LMPK12113096
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)
GMKBLHXKYVSJSF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O6/c1-21-12-9-11(19)13-14(20)18(23-3)15(10-7-5-4-6-8-10)24-17(13)16(12)22-2/h4-9,19H,1-3H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C=CC=CC=3)=C(OC)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FF9NS0009
PubChem CID
21632881

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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