Structure Database (LMSD)

Systematic Name
4-Methoxyfurano[2'',3'':6,7]aurone
Synonyms
LM ID
LMPK12130025
Formula
C18H12O4
Exact Mass
Calculate m/z
292.07356
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Aurone flavonoids [PK1213]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
BOHPRJVZPGQJKI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H12O4/c1-20-14-10-13-12(7-8-21-13)18-16(14)17(19)15(22-18)9-11-5-3-2-4-6-11/h2-10H,1H3
SMILES (Click to copy)
C12C(=O)C(=CC3C=CC=CC=3)OC=1C1C=COC=1C=C2OC

Other Databases

CHEBI ID
196232
METABOLOMICS ID
FL1AA9NF0002
PubChem CID
42607757

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 249.22
Topological Polar Surface Area 50.74
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 4.06
Molar Refractivity 82.14

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Updated at
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