Structure Database (LMSD)

Systematic Name
5,7-Dihydroxy-3-methoxy-6,8-dimethylflavone
Synonyms
LM ID
LMPK12111646
Formula
C18H16O5
Exact Mass
Calculate m/z
312.099775
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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)
SXUJLKUJWRKOLJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O5/c1-9-13(19)10(2)16-12(14(9)20)15(21)18(22-3)17(23-16)11-7-5-4-6-8-11/h4-8,19-20H,1-3H3
SMILES (Click to copy)
C1(O)=C(C)C2OC(C3C=CC=CC=3)=C(OC)C(=O)C=2C(O)=C1C

Other Databases

METABOLOMICS ID
FL5FA9NM0005
PubChem CID
44258731

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 273.01
Topological Polar Surface Area 79.90
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 4.40
Molar Refractivity 87.38

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Updated at
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