Structure Database (LMSD)

HO OH OH OH O
Common Name
ent-Epiafzelechin
Systematic Name
Synonyms
LM ID
LMPK12020037
Formula
C15H14O5
Exact Mass
Calculate m/z
274.084125
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
RSYUFYQTACJFML-ZFWWWQNUSA-N
InChi (Click to copy)
InChI=1S/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H2/t13-,15-/m0/s1
SMILES (Click to copy)
C1(O)C=C2O[C@@H](C3C=CC(O)=CC=3)[C@@H](O)CC2=C(O)C=1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL63AANS0003
PubChem CID
12309491

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 237.29
Topological Polar Surface Area 92.22
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 2.13
Molar Refractivity 71.47

Admin

Created at
-
Updated at
-