Structure Database (LMSD)

Common Name
Okanin 3,4,3',4'-tetramethyl ether
Systematic Name
Synonyms
LM ID
LMPK12120183
Status
Active
Exact Mass
Calculate m/z
344.12599
Formula
C19H20O6
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

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

String Representations

InChiKey (Click to copy)
BOYAGHNMYQPGKZ-VMPITWQZSA-N
InChi (Click to copy)
InChI=1S/C19H20O6/c1-22-15-9-6-12(11-17(15)24-3)5-8-14(20)13-7-10-16(23-2)19(25-4)18(13)21/h5-11,21H,1-4H3/b8-5+
SMILES (Click to copy)
C1(OC)=CC=C(C(=O)/C=C/C2C=CC(OC)=C(OC)C=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
FL1C3CNS0003
PubChem CID
5380306

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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