Structure Database (LMSD)

Systematic Name
6,3',4'-Trimethoxyflavanone
Synonyms
LM ID
LMPK12140105
Formula
C18H18O5
Exact Mass
Calculate m/z
314.115425
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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)
KYRMOZFTJMQBFZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H18O5/c1-20-12-5-7-15-13(9-12)14(19)10-17(23-15)11-4-6-16(21-2)18(8-11)22-3/h4-9,17H,10H2,1-3H3
SMILES (Click to copy)
C1=CC2OC(C3C=C(OC)C(OC)=CC=3)CC(=O)C=2C=C1OC

Other Databases

CHEBI ID
184820
METABOLOMICS ID
FL2F9CNS0001
PubChem CID
2922801

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 286.55
Topological Polar Surface Area 56.06
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 3.42
Molar Refractivity 84.86

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Updated at
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