Structure Database (LMSD)

Systematic Name
5-Hydroxy-7,3',4'-trimethoxy-6-C-methylflavanone
Synonyms
LM ID
LMPK12140589
Formula
C19H20O6
Exact Mass
Calculate m/z
344.12599
Status
Curated
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)
MZWGDEOIDFAFNR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H20O6/c1-10-14(23-3)9-17-18(19(10)21)12(20)8-15(25-17)11-5-6-13(22-2)16(7-11)24-4/h5-7,9,15,21H,8H2,1-4H3
SMILES (Click to copy)
C1(C)C(OC)=CC2OC(C3C=C(OC)C(OC)=CC=3)CC(=O)C=2C=1O

Other Databases

METABOLOMICS ID
FL2FCFNM0001
PubChem CID
42608084

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 312.64
Topological Polar Surface Area 76.29
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 3.43
Molar Refractivity 91.26

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Updated at
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