Structure Database (LMSD)

O O O O
Systematic Name
2-(2-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one
Synonyms
LM ID
LMPK12110008
Formula
C18H12O4
Exact Mass
Calculate m/z
292.07356
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

String Representations

InChiKey (Click to copy)
SRJVFLYFBJZISE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H12O4/c1-20-15-5-3-2-4-12(15)17-10-14(19)11-6-7-16-13(8-9-21-16)18(11)22-17/h2-10H,1H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC=CC=3OC)OC=1C1C=COC=1C=C2

References

Taxonomy Information

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

Other Databases

CHEBI ID
186935
METABOLOMICS ID
FL3F18NF0001
PubChem CID
156437

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 4
Rotatable Bonds 2
Van der Waals Molecular Volume 238.32
Topological Polar Surface Area 52.58
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 5.11
Molar Refractivity 84.35

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Updated at
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