Structure Database (LMSD)

Systematic Name
5-Methoxy-6,7-methylenedioxyflavone
Synonyms
LM ID
LMPK12111101
Formula
C17H12O5
Exact Mass
Calculate m/z
296.068475
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

Biological Context

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
NGLORVNWTNPBMU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H12O5/c1-19-17-15-11(18)7-12(10-5-3-2-4-6-10)22-13(15)8-14-16(17)21-9-20-14/h2-8H,9H2,1H3
SMILES (Click to copy)
C12OCOC1=C(OC)C1C(=O)C=C(C3C=CC=CC=3)OC=1C=2

Other Databases

CHEBI ID
186675
METABOLOMICS ID
FL3FE9NS0007
PubChem CID
189609
NP-MRD ID(NMR)
NP0052386

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 243.35
Topological Polar Surface Area 62.04
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 4.10
Molar Refractivity 80.70

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Updated at
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