Structure Database (LMSD)

Systematic Name
β-Hydroxy-2',6'-dimethoxy-3',4'-methylenedioxydihydrochalcone
Synonyms
LM ID
LMPK12120589
Formula
C18H18O6
Exact Mass
Calculate m/z
330.11034
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
OZQWBGZVPYGMPN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H18O6/c1-21-14-9-15-17(24-10-23-15)18(22-2)16(14)13(20)8-12(19)11-6-4-3-5-7-11/h3-7,9,12,19H,8,10H2,1-2H3
SMILES (Click to copy)
C12OCOC=1C(OC)=C(C(=O)CC(O)C1C=CC=CC=1)C(OC)=C2

Other Databases

CHEBI ID
186768
METABOLOMICS ID
FL1DHYNS0004
PubChem CID
42607729

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 295.34
Topological Polar Surface Area 78.36
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 2.74
Molar Refractivity 86.02

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Updated at
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