Structure Database (LMSD)

Common Name
6,8-Di-C-methylmyricetin 4'-methyl ether
Systematic Name
Synonyms
LM ID
LMPK12112505
Formula
C18H16O8
Exact Mass
Calculate m/z
360.08452
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)
NSLVKGGYZYYMTB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O8/c1-6-12(21)7(2)16-11(13(6)22)14(23)15(24)17(26-16)8-4-9(19)18(25-3)10(20)5-8/h4-5,19-22,24H,1-3H3
SMILES (Click to copy)
C1(O)=C(C)C2OC(C3C=C(O)C(OC)=C(O)C=3)=C(O)C(=O)C=2C(O)=C1C

Other Databases

METABOLOMICS ID
FL5FAJNM0002
PubChem CID
44259508

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 299.38
Topological Polar Surface Area 140.59
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 8
logP 3.51
Molar Refractivity 92.38

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Updated at
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