Structure Database (LMSD)

Systematic Name
5,7,2',3'-Tetrahydroxyflavone
Synonyms
LM ID
LMPK12110137
Formula
C15H10O6
Exact Mass
Calculate m/z
286.04774
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)
STAGATUVRDVEAT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O6/c16-7-4-10(18)14-11(19)6-12(21-13(14)5-7)8-2-1-3-9(17)15(8)20/h1-6,16-18,20H
SMILES (Click to copy)
C12=C(O)C=C(O)C=C1OC(C1C=CC=C(O)C=1O)=CC2=O

Other Databases

METABOLOMICS ID
FL3FA8NS0013
PubChem CID
5321864

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 229.90
Topological Polar Surface Area 111.13
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 3.18
Molar Refractivity 74.69

Admin

Created at
-
Updated at
-