Structure Database (LMSD)

Systematic Name
5,4'-Dimethoxy-6,7-methylenedioxyflavanone
Synonyms
LM ID
LMPK12140623
Formula
C18H16O6
Exact Mass
Calculate m/z
328.09469
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)
NNWHXTFUNBHRHH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O6/c1-20-11-5-3-10(4-6-11)13-7-12(19)16-14(24-13)8-15-17(18(16)21-2)23-9-22-15/h3-6,8,13H,7,9H2,1-2H3
SMILES (Click to copy)
C12OCOC1=C(OC)C1C(=O)CC(C3C=CC(OC)=CC=3)OC=1C=2

Other Databases

METABOLOMICS ID
FL2FEANS0006
PubChem CID
42608101

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 4
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 282.98
Topological Polar Surface Area 69.43
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 3.14
Molar Refractivity 84.43

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Updated at
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