Structure Database (LMSD)

Common Name
Glepidotin A
Systematic Name
Synonyms
LM ID
LMPK12111639
Formula
C20H18O5
Exact Mass
Calculate m/z
338.115425
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)
WCSHKPNHOSDFGK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H18O5/c1-11(2)8-9-13-14(21)10-15(22)16-17(23)18(24)19(25-20(13)16)12-6-4-3-5-7-12/h3-8,10,21-22,24H,9H2,1-2H3
SMILES (Click to copy)
C1C=C(C2=C(O)C(=O)C3C(O)=CC(O)=C(C/C=C(\C)/C)C=3O2)C=CC=1

Other Databases

KEGG ID
C10049
CHEBI ID
5380
METABOLOMICS ID
FL5FA9NI0001
PubChem CID
5281619

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 304.97
Topological Polar Surface Area 90.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.99
Molar Refractivity 96.16

Admin

Created at
-
Updated at
-