Structure Database (LMSD)

Systematic Name
5,8,4'-Trihydroxy-3,7-dimethoxy-6-methylflavone
Synonyms
LM ID
LMPK12113147
Formula
C18H16O7
Exact Mass
Calculate m/z
344.089605
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)
ZJGSVTMNZKYDRC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O7/c1-8-12(20)11-13(21)18(24-3)16(9-4-6-10(19)7-5-9)25-17(11)14(22)15(8)23-2/h4-7,19-20,22H,1-3H3
SMILES (Click to copy)
C1(OC)=C(O)C2OC(C3C=CC(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1C

Other Databases

METABOLOMICS ID
FL5FFANM0001
PubChem CID
44259963

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 290.59
Topological Polar Surface Area 109.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 3.80
Molar Refractivity 90.86

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Updated at
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