Structure Database (LMSD)

Common Name
Okanin 3,4,3',4'-tetramethyl ether
Systematic Name
Synonyms
LM ID
LMPK12120183
Formula
C19H20O6
Exact Mass
Calculate m/z
344.12599
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

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

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

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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