Structure Database (LMSD)

Common Name
Quercetin 3,5,3',4'-tetramethyl ether
Systematic Name
Synonyms
LM ID
LMPK12112769
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)
ALBAPSOWJBCDGT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O7/c1-22-12-6-5-10(7-13(12)23-2)18-19(25-4)17(21)16-14(24-3)8-11(20)9-15(16)26-18/h5-9,20H,1-4H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(OC)C(OC)=CC=3)=C(OC)C(=O)C=2C(OC)=C1

Other Databases

METABOLOMICS ID
FL5FDFNS0002
PubChem CID
14259793

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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