Structure Database (LMSD)

Systematic Name
5,6,3',5'-Tetrahydroxy-3,7,8,4'-tetramethoxyflavone
Synonyms
LM ID
LMPK12113360
Formula
C19H18O10
Exact Mass
Calculate m/z
406.09
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)
UPLDEGKZHMADGM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O10/c1-25-15-8(20)5-7(6-9(15)21)14-17(26-2)12(23)10-11(22)13(24)18(27-3)19(28-4)16(10)29-14/h5-6,20-22,24H,1-4H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C=C(O)C(OC)=C(O)C=3)=C(OC)C(=O)C=2C(O)=C1O

Other Databases

METABOLOMICS ID
FL5FGGNS0004
PubChem CID
44260073

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 334.26
Topological Polar Surface Area 148.05
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 10
logP 3.22
Molar Refractivity 100.90

Admin

Created at
-
Updated at
-