Structure Database (LMSD)

Systematic Name
5-Hydroxy-3,6,7,8-tetramethoxyflavone
Synonyms
LM ID
LMPK12113296
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)
OIUOWUVXSYPYLM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O7/c1-22-16-12(20)11-13(21)17(23-2)19(25-4)18(24-3)15(11)26-14(16)10-8-6-5-7-9-10/h5-9,21H,1-4H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C=CC=CC=3)=C(OC)C(=O)C=2C(O)=C1OC

Other Databases

HMDB ID
HMDB0137996
METABOLOMICS ID
FL5FG9NS0005
PubChem CID
44260046

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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