Structure Database (LMSD)

Common Name
6-C-Methylquercetin 3,3'-dimethyl ether
Systematic Name
Synonyms
LM ID
LMPK12112747
Formula
C18H16O7
Exact Mass
Calculate m/z
344.089605
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)
YYXIVLBFQSWHBO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O7/c1-8-11(20)7-13-14(15(8)21)16(22)18(24-3)17(25-13)9-4-5-10(19)12(6-9)23-2/h4-7,19-21H,1-3H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(OC)C(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1C

Other Databases

CHEBI ID
187087
METABOLOMICS ID
FL5FDDNM0001
PubChem CID
44259692

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 290.59
Topological Polar Surface Area 109.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 3.80
Molar Refractivity 90.86

Admin

Created at
-
Updated at
-