LIPID MAPS

Structure Database (LMSD)

Download as... MDLMOL SDF CSV TSV PNG SVG

Systematic Name

6,5'-Dihydroxy-3,7,2',4'-tetramethoxyflavone

Synonyms

LM ID

LMPK12111597

Formula

C₁₉H₁₈O₈

Exact Mass

Calculate m/z

374.10017

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)

NJPHRQLOFYMRLS-UHFFFAOYSA-N

InChi (Click to copy)

InChI=1S/C19H18O8/c1-23-13-7-15(24-2)12(21)6-10(13)18-19(26-4)17(22)9-5-11(20)16(25-3)8-14(9)27-18/h5-8,20-21H,1-4H3

SMILES (Click to copy)

C1(OC)=CC2OC(C3C(OC)=CC(OC)=C(O)C=3)=C(OC)C(=O)C=2C=C1O

Other Databases

METABOLOMICS ID

FL5F2LNS0001

PubChem CID

44258697

Calculated Physicochemical Properties

Heavy Atoms 27

Rings 3

Aromatic Rings 3

Rotatable Bonds 5

Van der Waals Molecular Volume 316.68

Topological Polar Surface Area 107.59

Hydrogen Bond Donors 2

Hydrogen Bond Acceptors 8

logP 3.81

Molar Refractivity 97.57

Admin

Created at

Updated at