Structure Database (LMSD)

Common Name
Amaronol A
Systematic Name
(+)- 2,4,6-Trihydroxy-2-[(3,4,5-trihydroxyphenyl)methyl]-3(2H)-benzofuranone
Synonyms
LM ID
LMPK12130074
Formula
C15H12O8
Exact Mass
Calculate m/z
320.05322
Status
Active
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)
KZFYMOSMINTUQG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H12O8/c16-7-3-8(17)12-11(4-7)23-15(22,14(12)21)5-6-1-9(18)13(20)10(19)2-6/h1-4,16-20,22H,5H2
SMILES (Click to copy)
C1(O)C=C2OC(O)(CC3C=C(O)C(O)=C(O)C=3)C(=O)C2=C(O)C=1

Other Databases

CHEBI ID
187448
METABOLOMICS ID
FL1BAGNS0001
PubChem CID
485521

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 261.02
Topological Polar Surface Area 149.75
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 8
logP 1.01
Molar Refractivity 75.33

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Updated at
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