Structure Database (LMSD)

Systematic Name
2',4'-Dihydroxy-3,4,6'-trimethoxydihydrochalcone
Synonyms
LM ID
LMPK12120541
Formula
C18H20O6
Exact Mass
Calculate m/z
332.12599
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)
FFDGJNNLRYXIIZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H20O6/c1-22-15-7-5-11(8-16(15)23-2)4-6-13(20)18-14(21)9-12(19)10-17(18)24-3/h5,7-10,19,21H,4,6H2,1-3H3
SMILES (Click to copy)
C1(O)C=C(OC)C(C(=O)CCC2C=CC(OC)=C(OC)C=2)=C(O)C=1

Other Databases

CHEBI ID
193230
METABOLOMICS ID
FL1DBFNS0001
PubChem CID
15730629

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 2
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 307.70
Topological Polar Surface Area 85.22
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 2.94
Molar Refractivity 88.52

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Updated at
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