Structure Database (LMSD)

OH OH O OH HO O
Common Name
Aureusidin
Systematic Name
Synonyms
LM ID
LMPK12130041
Formula
C15H10O6
Exact Mass
Calculate m/z
286.04774
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
WBEFUVAYFSOUEA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H10O6/c16-8-5-11(19)14-12(6-8)21-13(15(14)20)4-7-1-2-9(17)10(18)3-7/h1-6,16-19H
SMILES (Click to copy)
C12C(=O)C(=CC3C=C(O)C(O)=CC=3)OC=1C=C(O)C=C2O

References

Taxonomy Information

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

Other Databases

Wikipedia
Aureusidin
METABOLOMICS ID
FL1AACNS0001
PubChem CID
193757

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 240.80
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 2.13
Molar Refractivity 72.48

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Updated at
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