Structure Database (LMSD)

Common Name
6,8-Di-C-methylluteolin 7-methyl ether
Systematic Name
5,3',4'-Trihydroxy-7-methoxy-6,8-dimethylflavone
Synonyms
LM ID
LMPK12111042
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)
QDEUSJBJDJYZOM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O6/c1-8-16(22)15-13(21)7-14(10-4-5-11(19)12(20)6-10)24-18(15)9(2)17(8)23-3/h4-7,19-20,22H,1-3H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC(O)=C(O)C=3)OC=1C(C)=C(OC)C(C)=C2O

Other Databases

METABOLOMICS ID
FL3FCCNM0002
PubChem CID
10065066

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 281.80
Topological Polar Surface Area 100.13
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 4.10
Molar Refractivity 89.05

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