Structure Database (LMSD)

O O O O OH O
Common Name
Kanakugiol
Systematic Name
Synonyms
LM ID
LMPK12120362
Formula
C19H20O6
Exact Mass
Calculate m/z
344.12599
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

String Representations

InChiKey (Click to copy)
LETBAZLAGJPEIM-ZHACJKMWSA-N
InChi (Click to copy)
InChI=1S/C19H20O6/c1-22-16-14(13(20)11-10-12-8-6-5-7-9-12)15(21)17(23-2)19(25-4)18(16)24-3/h5-11,21H,1-4H3/b11-10+
SMILES (Click to copy)
C1(OC)=C(OC)C(OC)=C(C(=O)/C=C/C2C=CC=CC=2)C(O)=C1OC

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL1CG9NS0004
PubChem CID
6442392

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 2
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 322.36
Topological Polar Surface Area 74.22
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 3.32
Molar Refractivity 94.12

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Updated at
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