Structure Database (LMSD)

Common Name
Ageconyflavone B
Systematic Name
5,6,7,3'-Tetramethoxy-4'-hydroxyflavone
Synonyms
LM ID
LMPK12111247
Formula
C19H18O7
Exact Mass
Calculate m/z
358.105255
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)
DTWRFKKTAKDLCF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O7/c1-22-14-7-10(5-6-11(14)20)13-8-12(21)17-15(26-13)9-16(23-2)18(24-3)19(17)25-4/h5-9,20H,1-4H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC(O)=C(OC)C=3)OC=1C=C(OC)C(OC)=C2OC

Other Databases

METABOLOMICS ID
FL3FECNS0021
PubChem CID
11574015

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 307.89
Topological Polar Surface Area 87.36
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 4.10
Molar Refractivity 95.90

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Updated at
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