Structure Database (LMSD)

Systematic Name
5-Hydroxy-6,7,8,4'-tetramethoxyflavanone
Synonyms
LM ID
LMPK12140685
Formula
C19H20O7
Exact Mass
Calculate m/z
360.120905
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)
SGWLCEXRWADMOA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H20O7/c1-22-11-7-5-10(6-8-11)13-9-12(20)14-15(21)17(23-2)19(25-4)18(24-3)16(14)26-13/h5-8,13,21H,9H2,1-4H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C=CC(OC)=CC=3)CC(=O)C=2C(O)=C1OC

Other Databases

METABOLOMICS ID
FL2FGANS0003
PubChem CID
14137334

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 321.43
Topological Polar Surface Area 85.52
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 3.13
Molar Refractivity 93.07

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