Structure Database (LMSD)

Systematic Name
5,7,2',5'-Tetrahydroxyflavone
Synonyms
LM ID
LMPK12110131
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)
CFICGXRYLHEUQQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O6/c16-7-1-2-10(18)9(3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-6,16-19H
SMILES (Click to copy)
C12C(=O)C=C(C3C=C(O)C=CC=3O)OC=1C=C(O)C=C2O

Other Databases

METABOLOMICS ID
FL3FA8NS0007
PubChem CID
5487756

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

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