Structure Database (LMSD)

Systematic Name
5-Hydroxy-7,8,4'-trimethoxyflavanone
Synonyms
LM ID
LMPK12140669
Formula
C18H18O6
Exact Mass
Calculate m/z
330.11034
Status
Active
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)
PRVKZYAHKGMLPS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H18O6/c1-21-11-6-4-10(5-7-11)14-8-12(19)16-13(20)9-15(22-2)17(23-3)18(16)24-14/h4-7,9,14,20H,8H2,1-3H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C=CC(OC)=CC=3)CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL2FFANS0003
PubChem CID
42608118

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 295.34
Topological Polar Surface Area 76.29
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 3.12
Molar Refractivity 86.52

Admin

Created at
-
Updated at
-