Structure Database (LMSD)

Common Name
Kanakugin
Systematic Name
Synonyms
LM ID
LMPK12140680
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]
Flavanones [PK1214]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
MYURJYCFOUHXBP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H20O6/c1-21-15-14-12(20)10-13(11-8-6-5-7-9-11)25-16(14)18(23-3)19(24-4)17(15)22-2/h5-9,13H,10H2,1-4H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C=CC=CC=3)CC(=O)C=2C(OC)=C1OC

Other Databases

METABOLOMICS ID
FL2FG9NS0004
PubChem CID
14136084

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 312.64
Topological Polar Surface Area 65.29
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 3.43
Molar Refractivity 91.41

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Updated at
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