Structure Database (LMSD)

Common Name
Hookerianin
Systematic Name
Synonyms
LM ID
LMPK12110187
Formula
C23H20O6
Exact Mass
Calculate m/z
392.12599
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)
NVGQZFJWDWMWMT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H20O6/c1-23(2)12-14(22(25)29-23)19-17(26-3)11-18(27-4)20-15(24)10-16(28-21(19)20)13-8-6-5-7-9-13/h5-12H,1-4H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC=CC=3)OC=1C(C1=CC(C)(C)OC1=O)=C(OC)C=C2OC

Other Databases

CHEBI ID
193367
METABOLOMICS ID
FL3FA9NR0002
PubChem CID
44257647

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 350.66
Topological Polar Surface Area 77.04
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 5.38
Molar Refractivity 109.79

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Updated at
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