Structure Database (LMSD)

Systematic Name
6-Hydroxy-4'-methoxyflavone
Synonyms
LM ID
LMPK12110107
Formula
C16H12O4
Exact Mass
Calculate m/z
268.07356
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)
RMPRESDCJMOAHW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)16-9-14(18)13-8-11(17)4-7-15(13)20-16/h2-9,17H,1H3
SMILES (Click to copy)
C1=CC2OC(C3C=CC(OC)=CC=3)=CC(=O)C=2C=C1O

Other Databases

METABOLOMICS ID
FL3F9ANS0001
PubChem CID
688679

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 229.62
Topological Polar Surface Area 59.67
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 4.07
Molar Refractivity 76.24

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Updated at
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