Structure Database (LMSD)

Systematic Name
3',4'-Methylenedioxyfurano[2'',3'':6,7]aurone
Synonyms
LM ID
LMPK12130007
Formula
C18H10O5
Exact Mass
Calculate m/z
306.052825
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Aurone flavonoids [PK1213]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
UTMHQTAESOETQZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H10O5/c19-17-12-2-4-13-11(5-6-20-13)18(12)23-16(17)8-10-1-3-14-15(7-10)22-9-21-14/h1-8H,9H2
SMILES (Click to copy)
C12C(=O)C(=CC3C=C4OCOC4=CC=3)OC=1C1C=COC=1C=C2

Other Databases

CHEBI ID
184227
METABOLOMICS ID
FL1A1CNF0001
PubChem CID
42607743

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 5
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 245.65
Topological Polar Surface Area 64.11
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 3.78
Molar Refractivity 81.71

Admin

Created at
-
Updated at
-