Structure Database (LMSD)

O O O O
Systematic Name
5,7-Dimethoxy-6-C-methylflavanone
Synonyms
LM ID
LMPK12140197
Formula
C18H18O4
Exact Mass
Calculate m/z
298.12051
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

String Representations

InChiKey (Click to copy)
XYMPWWTYELQXGU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H18O4/c1-11-14(20-2)10-16-17(18(11)21-3)13(19)9-15(22-16)12-7-5-4-6-8-12/h4-8,10,15H,9H2,1-3H3
SMILES (Click to copy)
C1(C)C(OC)=CC2OC(C3C=CC=CC=3)CC(=O)C=2C=1OC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

HMDB ID
HMDB0038453
METABOLOMICS ID
FL2FA9NM0011
PubChem CID
14583632

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 277.76
Topological Polar Surface Area 46.83
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 3.72
Molar Refractivity 83.04

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Updated at
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