Structure Database (LMSD)

Common Name
6-C-Methylmyricetin 3,4'-dimethyl ether
Systematic Name
Synonyms
LM ID
LMPK12112787
Formula
C18H16O8
Exact Mass
Calculate m/z
360.08452
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)
PDQBGPYEIJEFRK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O8/c1-7-9(19)6-12-13(14(7)22)15(23)18(25-3)16(26-12)8-4-10(20)17(24-2)11(21)5-8/h4-6,19-22H,1-3H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O)C(OC)=C(O)C=3)=C(OC)C(=O)C=2C(O)=C1C

Other Databases

CHEBI ID
193406
METABOLOMICS ID
FL5FDJNM0001
PubChem CID
44259716

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 299.38
Topological Polar Surface Area 129.59
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
logP 3.51
Molar Refractivity 92.53

Admin

Created at
-
Updated at
-