Structure Database (LMSD)

Common Name
8-C-Methylquercetagetin 3,6,7,4'-tetramethyl ether
Systematic Name
Synonyms
LM ID
LMPK12112981
Formula
C20H20O8
Exact Mass
Calculate m/z
388.11582
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)
UGQQYSCOGXWBHY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O8/c1-9-16-13(14(22)19(26-4)17(9)25-3)15(23)20(27-5)18(28-16)10-6-7-12(24-2)11(21)8-10/h6-8,21-22H,1-5H3
SMILES (Click to copy)
C1(OC)=C(C)C2OC(C3C=C(O)C(OC)=CC=3)=C(OC)C(=O)C=2C(O)=C1OC

Other Databases

METABOLOMICS ID
FL5FECNM0004
PubChem CID
44259867

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 333.98
Topological Polar Surface Area 107.59
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
logP 4.11
Molar Refractivity 102.30

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Updated at
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