Structure Database (LMSD)

O OH OH OH HO O
Common Name
Maesopsin
Systematic Name
Synonyms
LM ID
LMPK12130072
Formula
C15H12O6
Exact Mass
Calculate m/z
288.06339
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)
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
HMDB0133540
CHEBI ID
181507
METABOLOMICS ID
FL1BAANS0001
PubChem CID
160803

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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Updated at
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