LIPID MAPS

Structure Database (LMSD)

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Systematic Name

3,5,8-Trihydroxy-6,7,3',4'-tetramethoxyflavone

Synonyms

LM ID

LMPK12113352

Formula

C₁₉H₁₈O₉

Exact Mass

Calculate m/z

390.095085

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

View NP-MRD ID(NMR) spectrum

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Viridiplantae (#33090)

Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)

ICFGGMFYTLSHHS-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C19H18O9/c1-24-9-6-5-8(7-10(9)25-2)16-14(22)12(20)11-13(21)18(26-3)19(27-4)15(23)17(11)28-16/h5-7,21-23H,1-4H3

SMILES (Click to copy)

C12C(=O)C(O)=C(C3C=CC(OC)=C(OC)C=3)OC=1C(O)=C(OC)C(OC)=C2O

Other Databases

CHEBI ID

196380

METABOLOMICS ID

FL5FGCNS0026

PubChem CID

5324365

Calculated Physicochemical Properties

Heavy Atoms 28

Rings 3

Aromatic Rings 3

Rotatable Bonds 5

Van der Waals Molecular Volume 325.47

Topological Polar Surface Area 127.82

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 9

logP 3.51

Molar Refractivity 99.23

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