Structure Database (LMSD)

Systematic Name
2',4'-Dihydroxy-5,6-methylenedioxy-2-phenylbenzofuran
Synonyms
LM ID
LMPK12160041
Formula
C15H10O5
Exact Mass
Calculate m/z
270.052825
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Other Flavonoids [PK1216]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
UACAJEAOMACMMU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O5/c16-9-1-2-10(11(17)5-9)13-3-8-4-14-15(19-7-18-14)6-12(8)20-13/h1-6,16-17H,7H2
SMILES (Click to copy)
C1(O)C=CC(C2OC3=CC4OCOC=4C=C3C=2)=C(O)C=1

Other Databases

CHEBI ID
196250
METABOLOMICS ID
FLII1CNS0002
PubChem CID
10265117

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 4
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 222.29
Topological Polar Surface Area 74.36
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 2.72
Molar Refractivity 70.84

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Updated at
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