Structure Database (LMSD)

Common Name
8-C-Methylquercetin 3-methyl ether
Systematic Name
Synonyms
LM ID
LMPK12112723
Formula
C17H14O7
Exact Mass
Calculate m/z
330.073955
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)
SAQWNSJWKCJGKQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O7/c1-7-10(19)6-12(21)13-14(22)17(23-2)16(24-15(7)13)8-3-4-9(18)11(20)5-8/h3-6,18-21H,1-2H3
SMILES (Click to copy)
C1(O)=C(C)C2OC(C3C=C(O)C(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FDCNM0002
PubChem CID
44259679

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 273.29
Topological Polar Surface Area 120.36
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 3.50
Molar Refractivity 85.98

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Updated at
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