Structure Database (LMSD)

Systematic Name
4-Hydroxyfurano[2'',3'':6,7]aurone
Synonyms
LM ID
LMPK12130024
Formula
C17H10O4
Exact Mass
Calculate m/z
278.05791
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)
NULUMMBDIFUOPU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H10O4/c18-12-9-13-11(6-7-20-13)17-15(12)16(19)14(21-17)8-10-4-2-1-3-5-10/h1-9,18H
SMILES (Click to copy)
C12C(=O)C(=CC3C=CC=CC=3)OC=1C1C=COC=1C=C2O

Other Databases

METABOLOMICS ID
FL1AA9NF0001
PubChem CID
42607756

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 4
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 231.92
Topological Polar Surface Area 61.74
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 3.75
Molar Refractivity 77.26

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Updated at
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