Structure Database (LMSD)

Systematic Name
7-Methoxy-5,6:3',4'-bis(methylenedioxy)flavone
Synonyms
LM ID
LMPK12111244
Formula
C18H12O7
Exact Mass
Calculate m/z
340.058305
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

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)
LLCAUEWPQRQURL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H12O7/c1-20-15-6-14-16(18-17(15)23-8-24-18)10(19)5-12(25-14)9-2-3-11-13(4-9)22-7-21-11/h2-6H,7-8H2,1H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC4OCOC=4C=3)=CC(=O)C=2C2OCOC1=2

Other Databases

METABOLOMICS ID
FL3FECNS0018
PubChem CID
44258526

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 5
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 265.87
Topological Polar Surface Area 84.64
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
logP 3.83
Molar Refractivity 86.83

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Updated at
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