Structure Database (LMSD)

Common Name
Quercetin
Systematic Name
Synonyms
LM ID
LMPK12110004
Status
Active
Exact Mass
Calculate m/z
302.042655
Formula
C15H10O7
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

String Representations

InChiKey (Click to copy)
REFJWTPEDVJJIY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
SMILES (Click to copy)
C1(O)C=C2OC(C3=CC=C(O)C(O)=C3)=C(O)C(=O)C2=C(O)C=1

References

Other Databases

Wikipedia
Quercetin
KEGG ID
C00389
HMDB ID
HMDB0005794
CHEBI ID
16243
PubChem CID
5280343

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 238.69
Topological Polar Surface Area 131.36
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 2.89
Molar Refractivity 76.35

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Updated at
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