Structure Database (LMSD)

Systematic Name
5,7-Dimethoxy-6-C-methylflavone
Synonyms
LM ID
LMPK12110173
Formula
C18H16O4
Exact Mass
Calculate m/z
296.10486
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)
LDGCKWYSZUGWHS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O4/c1-11-14(20-2)10-16-17(18(11)21-3)13(19)9-15(22-16)12-7-5-4-6-8-12/h4-10H,1-3H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC=CC=3)=CC(=O)C=2C(OC)=C1C

Other Databases

HMDB ID
HMDB0040873
CHEBI ID
174812
METABOLOMICS ID
FL3FA9NM0004
PubChem CID
44257640

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 264.22
Topological Polar Surface Area 48.67
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 4.69
Molar Refractivity 85.87

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Updated at
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