Structure Database (LMSD)

Common Name
Quercetagetin 3,5,6,3'-tetramethyl ether
Systematic Name
Synonyms
LM ID
LMPK12113006
Formula
C19H18O8
Exact Mass
Calculate m/z
374.10017
Status
Active
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)
KTHMSMULCFSZJB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O8/c1-23-12-7-9(5-6-10(12)20)16-19(26-4)15(22)14-13(27-16)8-11(21)17(24-2)18(14)25-3/h5-8,20-21H,1-4H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(OC)C(O)=CC=3)=C(OC)C(=O)C=2C(OC)=C1OC

Other Databases

CHEBI ID
185242
METABOLOMICS ID
FL5FECNS0025
PubChem CID
44259870

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

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Updated at
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