Structure Database (LMSD)

Common Name
Maesopsin
Systematic Name
Synonyms
LM ID
LMPK12130072
Status
Active
Exact Mass
Calculate m/z
288.06339
Formula



Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
LOFYFDPXORJJEE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C15H12O6/c16-9-3-1-8(2-4-9)7-15(20)14(19)13-11(18)5-10(17)6-12(13)21-15/h1-6,16-18,20H,7H2
SMILES (Click to copy)
C12C(=O)C(CC3C=CC(O)=CC=3)(O)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

HMDB ID
CHEBI ID
METABOLOMICS ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 243.44
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 1.60
Molar Refractivity 72.00

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Created at
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Updated at
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