Structure Database (LMSD)

O O O O
Systematic Name
6-Methoxy-[2'',3'':7,8]furanoflavanone
Synonyms
LM ID
LMPK12140082
Formula
C18H14O4
Exact Mass
Calculate m/z
294.08921
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
UFIKASAICBBABY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H14O4/c1-20-16-9-13-14(19)10-15(11-5-3-2-4-6-11)22-17(13)12-7-8-21-18(12)16/h2-9,15H,10H2,1H3
SMILES (Click to copy)
C12OC=CC1=C1OC(C3C=CC=CC=3)CC(=O)C1=CC=2OC

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2F29NF0001
PubChem CID
42607828

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 262.76
Topological Polar Surface Area 48.90
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 3.76
Molar Refractivity 81.41

Admin

Created at
-
Updated at
-