Structure Database (LMSD)

Systematic Name
Furano[2'',3'':6,7]aurone
Synonyms
LM ID
LMPK12130001
Formula
C17H10O3
Exact Mass
Calculate m/z
262.062995
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/
Derris (#53864)
Magnoliopsida (#3398)
Flavonoids of Derris obtusa: Aurones and auronols,
Phytochemistry, 1976

String Representations

InChiKey (Click to copy)
YVBYFIDGVMQYJN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H10O3/c18-16-13-6-7-14-12(8-9-19-14)17(13)20-15(16)10-11-4-2-1-3-5-11/h1-10H
SMILES (Click to copy)
C12C(=O)C(=CC3C=CC=CC=3)OC=1C1C=COC=1C=C2

Other Databases

METABOLOMICS ID
FL1A19NF0001
PubChem CID
42607738

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 4
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 223.13
Topological Polar Surface Area 41.51
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 4.05
Molar Refractivity 75.59

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Created at
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Updated at
4th Feb 2021