Structure Database (LMSD)

Systematic Name
2',4',5,7-Tetramethoxy-8-methylflavanone
Synonyms
LM ID
LMPK12140503
Formula
C20H22O6
Exact Mass
Calculate m/z
358.14164
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)
POAYRMWLLITKDN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H22O6/c1-11-15(23-3)10-18(25-5)19-14(21)9-17(26-20(11)19)13-7-6-12(22-2)8-16(13)24-4/h6-8,10,17H,9H2,1-5H3
SMILES (Click to copy)
C1(OC)C(C)=C2OC(C3C=CC(OC)=CC=3OC)CC(=O)C2=C(OC)C=1

Other Databases

METABOLOMICS ID
FL2FALNM0001
PubChem CID
42608037

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 329.94
Topological Polar Surface Area 65.29
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 3.74
Molar Refractivity 96.15

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Updated at
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