Structure Database (LMSD)

Common Name
Artoindonesianin P
Systematic Name
Synonyms
  • O,O'-Didemethylartonin L
LM ID
LMPK12111519
Formula
C20H16O7
Exact Mass
Calculate m/z
368.089605
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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)
SISHCMQQUDFHIG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H16O7/c1-20(2)9-5-8-17(25)15-10(22)3-7(21)4-13(15)26-18(8)16-11(23)6-12(24)19(27-20)14(9)16/h3-4,6,9,21-24H,5H2,1-2H3
SMILES (Click to copy)
C12C(=O)C3CC4C(C)(C)OC5=C(O)C=C(O)C(C=3OC=1C=C(O)C=C2O)=C45

Other Databases

CHEBI ID
65442
METABOLOMICS ID
FL3FRNNF0001
PubChem CID
10316935

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 5
Aromatic Rings 3
Rotatable Bonds 0
Van der Waals Molecular Volume 300.47
Topological Polar Surface Area 122.43
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 4.28
Molar Refractivity 96.35

Admin

Created at
-
Updated at
-