Structure Database (LMSD)

Common Name
Tricetin
Systematic Name
5,7,3',4',5'-Pentahydroxyflavone
Synonyms
LM ID
LMPK12110847
Formula
C15H10O7
Exact Mass
Calculate m/z
302.042655
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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)
ARSRJFRKVXALTF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H
SMILES (Click to copy)
C12C(=O)C=C(C3C=C(O)C(O)=C(O)C=3)OC=1C=C(O)C=C2O

Other Databases

Wikipedia
Tricetin
KEGG ID
C10192
HMDB ID
HMDB0029620
CHEBI ID
507499
METABOLOMICS ID
FL3FAGNS0001
PubChem CID
5281701
PDB ID
MYF

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 238.69
Topological Polar Surface Area 131.36
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 2.89
Molar Refractivity 76.35

Admin

Created at
-
Updated at
-