Structure Database (LMSD)

O O O HO HO OH OH O O
Systematic Name
5,7,2',4'-Tetrahydroxy-6,8,5'-trimethoxyflavone
Synonyms
LM ID
LMPK12111499
Formula
C18H16O9
Exact Mass
Calculate m/z
376.079435
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

String Representations

InChiKey (Click to copy)
KVAUVKHVYDKYMY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O9/c1-24-12-4-7(8(19)5-9(12)20)11-6-10(21)13-14(22)17(25-2)15(23)18(26-3)16(13)27-11/h4-6,19-20,22-23H,1-3H3
SMILES (Click to copy)
C1(O)=C(OC)C2OC(C3C(O)=CC(O)=C(OC)C=3)=CC(=O)C=2C(O)=C1OC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

CHEBI ID
180417
METABOLOMICS ID
FL3FGLNS0001
PubChem CID
44258656

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 308.17
Topological Polar Surface Area 138.82
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 9
logP 3.21
Molar Refractivity 94.34

Admin

Created at
-
Updated at
-