Structure Database (LMSD)

Common Name
Agecorynin E
Systematic Name
4-Hydroxy-5,6,7,3'-tetramethoxyflavanone
Synonyms
LM ID
LMPK12140632
Formula
C19H20O7
Exact Mass
Calculate m/z
360.120905
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
RTHZXRUUOCCNTA-ZDUSSCGKSA-N
InChi (Click to copy)
InChI=1S/C19H20O7/c1-22-14-7-10(5-6-11(14)20)13-8-12(21)17-15(26-13)9-16(23-2)18(24-3)19(17)25-4/h5-7,9,13,20H,8H2,1-4H3/t13-/m0/s1
SMILES (Click to copy)
C1(OC)C=C2O[C@H](C3C=CC(O)=C(OC)C=3)CC(=O)C2=C(OC)C=1OC

Other Databases

METABOLOMICS ID
FL2FECNS0007
PubChem CID
42608103

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 321.43
Topological Polar Surface Area 85.52
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 3.13
Molar Refractivity 93.07

Admin

Created at
-
Updated at
-