Structure Database (LMSD)

Common Name
Artonin K
Systematic Name
Synonyms
LM ID
LMPK12111521
Formula
C21H18O7
Exact Mass
Calculate m/z
382.105255
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
NMKFZSNRHNHWLX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H18O7/c1-21(2)10-6-9-18(25)16-11(22)4-8(26-3)5-14(16)27-19(9)17-12(23)7-13(24)20(28-21)15(10)17/h4-5,7,10,22-24H,6H2,1-3H3
SMILES (Click to copy)
C12C(=O)C3CC4C(C)(C)OC5=C(O)C=C(O)C(C=3OC=1C=C(OC)C=C2O)=C45

Other Databases

HMDB ID
HMDB0040673
CHEBI ID
175885
METABOLOMICS ID
FL3FRNNF0003
PubChem CID
15340661

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 5
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 317.77
Topological Polar Surface Area 111.43
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 4.58
Molar Refractivity 101.24

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Updated at
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