Structure Database (LMSD)

Common Name
Conyzatin
Systematic Name
Synonyms
LM ID
LMPK12113277
Formula
C20H20O9
Exact Mass
Calculate m/z
404.110735
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)
WFUOMXZWZFSZEM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O9/c1-24-12-6-9(7-13(25-2)18(12)27-4)16-20(28-5)15(23)14-10(21)8-11(22)17(26-3)19(14)29-16/h6-8,21-22H,1-5H3
SMILES (Click to copy)
C1(O)=C(OC)C2OC(C3C=C(OC)C(OC)=C(OC)C=3)=C(OC)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FFGNS0006
PubChem CID
13916282

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 3
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 342.77
Topological Polar Surface Area 116.82
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 9
logP 3.81
Molar Refractivity 104.12

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Updated at
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