Structure Database (LMSD)

Systematic Name
5,8,2'-Trihydroxyflavone
Synonyms
LM ID
LMPK12110087
Formula
C15H10O5
Exact Mass
Calculate m/z
270.052825
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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)
PNLMQENISKSSNZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O5/c16-9-4-2-1-3-8(9)13-7-12(19)14-10(17)5-6-11(18)15(14)20-13/h1-7,16-18H
SMILES (Click to copy)
C1=C(O)C2OC(C3C=CC=CC=3O)=CC(=O)C=2C(O)=C1

Other Databases

CHEBI ID
196245
METABOLOMICS ID
FL3F98NS0008
PubChem CID
44257594

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 221.11
Topological Polar Surface Area 90.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 3.48
Molar Refractivity 73.02

Admin

Created at
-
Updated at
-