Structure Database (LMSD)

Systematic Name
3'-Hydroxy-5,7,4'-trimethoxy-8-C-methylflavanone
Synonyms
LM ID
LMPK12140598
Formula
C19H20O6
Exact Mass
Calculate m/z
344.12599
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)
PWZSUNQCPBOCBW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H20O6/c1-10-15(23-3)9-17(24-4)18-13(21)8-16(25-19(10)18)11-5-6-14(22-2)12(20)7-11/h5-7,9,16,20H,8H2,1-4H3
SMILES (Click to copy)
C1(OC)=C(C)C2OC(C3C=C(O)C(OC)=CC=3)CC(=O)C=2C(OC)=C1

Other Databases

CHEBI ID
197273
METABOLOMICS ID
FL2FDENM0001
PubChem CID
42608089

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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