Structure Database (LMSD)

Common Name
Phloretin
Systematic Name
Synonyms
LM ID
LMPK12120525
Formula
Exact Mass
Calculate m/z
274.084125
Status
Active


Main

Classification

String Representations

InChiKey (Click to copy)
VGEREEWJJVICBM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2
SMILES (Click to copy)
C1(O)C=C(O)C(C(=O)CCC2C=CC(O)=CC=2)=C(O)C=1

References

Taxonomy Information

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

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
METABOLOMICS ID
PubChem CID
Cayman ID
PDB ID
GuidePharm ID

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 2
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 247.01
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 2.32
Molar Refractivity 72.19

Admin

Created at
-
Updated at
-