Structure Database (LMSD)

Systematic Name
2'-Hydroxyfurano[2'',3'':4',3']chalcone
Synonyms
LM ID
LMPK12120002
Formula
C17H12O3
Exact Mass
Calculate m/z
264.078645
Status
Active
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)
WXWGKIBMPDYPTH-SOFGYWHQSA-N
InChi (Click to copy)
InChI=1S/C17H12O3/c18-15(8-6-12-4-2-1-3-5-12)13-7-9-16-14(17(13)19)10-11-20-16/h1-11,19H/b8-6+
SMILES (Click to copy)
C12OC=CC1=C(O)C(C(=O)/C=C/C1C=CC=CC=1)=CC=2

Other Databases

CHEBI ID
168932
METABOLOMICS ID
FL1C19NF0001
PubChem CID
13963932

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 235.49
Topological Polar Surface Area 50.44
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.03
Molar Refractivity 77.69

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Updated at
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