Structure Database (LMSD)

Systematic Name
5-Hydroxy-7,3',4',5'-tetramethoxyflavanone
Synonyms
LM ID
LMPK12140592
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)
YHUVYYVAPBAXIH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H20O7/c1-22-11-7-12(20)18-13(21)9-14(26-15(18)8-11)10-5-16(23-2)19(25-4)17(6-10)24-3/h5-8,14,20H,9H2,1-4H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=C(OC)C(OC)=C(OC)C=3)CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL2FCKNS0001
PubChem CID
42608086

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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Updated at
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