Structure Database (LMSD)

Common Name
Epidistenin
Systematic Name
Synonyms
LM ID
LMPK12020023
Formula
C15H14O4
Exact Mass
Calculate m/z
258.08921
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
DGEMVQDNZRCAGP-UKRRQHHQSA-N
InChi (Click to copy)
InChI=1S/C15H14O4/c16-10-6-12(17)11-8-13(18)15(19-14(11)7-10)9-4-2-1-3-5-9/h1-7,13,15-18H,8H2/t13-,15-/m1/s1
SMILES (Click to copy)
C1(O)C=C2O[C@H](C3C=CC=CC=3)[C@H](O)CC2=C(O)C=1

Other Databases

CHEBI ID
186676
METABOLOMICS ID
FL63A9NS0001
PubChem CID
14281801

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 228.50
Topological Polar Surface Area 71.99
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 2.42
Molar Refractivity 69.81

Admin

Created at
-
Updated at
-