Structure Database (LMSD)

Common Name
Epicatechin
Systematic Name
Synonyms
LM ID
LMPK12020003
Status
Active
Exact Mass
Calculate m/z
290.07904
Formula
C15H14O6
Show lipids differing only in stereochemistry/bond geometry
View MoNA MS spectra
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

String Representations

InChiKey (Click to copy)
PFTAWBLQPZVEMU-UKRRQHHQSA-N
InChi (Click to copy)
InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15-/m1/s1
SMILES (Click to copy)
C1(O)C=C2O[C@H](C3=CC=C(O)C(O)=C3)[C@H](O)CC2=C(O)C=1

References

Other Databases

Wikipedia
Epicatechin
KEGG ID
C09727
HMDB ID
HMDB0001871
CHEBI ID
90
PubChem CID
72276
Cayman ID
11807

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 246.08
Topological Polar Surface Area 112.45
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 6
logP 1.83
Molar Refractivity 73.14

Admin

Created at
-
Updated at
-