Structure Database (LMSD)

Common Name
Dinklagin C
Systematic Name
Synonyms
LM ID
LMPK12110413
Formula
C20H18O6
Exact Mass
Calculate m/z
354.11034
Status
Active
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)
PDONMPUBRSPUSC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H18O6/c1-10(2)14(22)7-13-15(23)8-18-19(20(13)25)16(24)9-17(26-18)11-3-5-12(21)6-4-11/h3-6,8-9,14,21-23,25H,1,7H2,2H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC(O)=CC=3)OC=1C=C(O)C(CC(O)C(=C)C)=C2O

Other Databases

METABOLOMICS ID
FL3FAANI0005
PubChem CID
44257866

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 313.76
Topological Polar Surface Area 111.13
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 4.24
Molar Refractivity 98.06

Admin

Created at
-
Updated at
-