Structure Database (LMSD)

Common Name
Artonin L
Systematic Name
Synonyms
LM ID
LMPK12111520
Formula
C22H20O7
Exact Mass
Calculate m/z
396.120905
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

String Representations

InChiKey (Click to copy)
LDQNIBPJKBVZEF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H20O7/c1-22(2)11-7-10-19(25)17-12(23)5-9(26-3)6-15(17)28-20(10)18-14(27-4)8-13(24)21(29-22)16(11)18/h5-6,8,11,23-24H,7H2,1-4H3
SMILES (Click to copy)
C12C(=O)C3CC4C(C)(C)OC5=C(O)C=C(OC)C(C=3OC=1C=C(OC)C=C2O)=C45

References

Taxonomy Information

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

Other Databases

HMDB ID
HMDB0040674
CHEBI ID
175165
METABOLOMICS ID
FL3FRNNF0002
PubChem CID
44258662

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 5
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 335.07
Topological Polar Surface Area 100.43
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 4.89
Molar Refractivity 106.13

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Updated at
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