Structure Database (LMSD)

Systematic Name
6-Hydroxy-5,7-dimethoxyflavanone
Synonyms
LM ID
LMPK12140613
Formula
C17H16O5
Exact Mass
Calculate m/z
300.099775
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)
XVCRDIQXUUPWPZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H16O5/c1-20-14-9-13-15(17(21-2)16(14)19)11(18)8-12(22-13)10-6-4-3-5-7-10/h3-7,9,12,19H,8H2,1-2H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC=CC=3)CC(=O)C=2C(OC)=C1O

Other Databases

METABOLOMICS ID
FL2FE9NS0004
PubChem CID
42608096

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 269.25
Topological Polar Surface Area 67.06
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 3.12
Molar Refractivity 79.97

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Updated at
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