Structure Database (LMSD)

Common Name
6,8-Di-C-methylmyricetin 3,4'-dimethyl ether
Systematic Name
Synonyms
LM ID
LMPK12112788
Formula
C19H18O8
Exact Mass
Calculate m/z
374.10017
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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)
NTCHNMYCUMBOPY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O8/c1-7-13(22)8(2)16-12(14(7)23)15(24)19(26-4)17(27-16)9-5-10(20)18(25-3)11(21)6-9/h5-6,20-23H,1-4H3
SMILES (Click to copy)
C1(O)=C(C)C2OC(C3C=C(O)C(OC)=C(O)C=3)=C(OC)C(=O)C=2C(O)=C1C

Other Databases

METABOLOMICS ID
FL5FDJNM0002
PubChem CID
44259717

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 316.68
Topological Polar Surface Area 129.59
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
logP 3.82
Molar Refractivity 97.27

Admin

Created at
-
Updated at
-