Structure Database (LMSD)

Common Name
Kievitone
Systematic Name
Synonyms
LM ID
LMPK12050479
Formula
C20H20O6
Exact Mass
Calculate m/z
356.12599
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
MERHMOCEIBOOMA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O6/c1-10(2)3-5-13-16(23)8-17(24)18-19(25)14(9-26-20(13)18)12-6-4-11(21)7-15(12)22/h3-4,6-8,14,21-24H,5,9H2,1-2H3
SMILES (Click to copy)
C1(O)=C(C/C=C(\C)/C)C2OCC(C3=CC=C(O)C=C3O)C(=O)C=2C(O)=C1

Other Databases

KEGG ID
C01590
HMDB ID
HMDB0034213
CHEBI ID
16832
METABOLOMICS ID
FLIBALNI0001
PubChem CID
119269

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 327.30
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 3.66
Molar Refractivity 95.73

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Updated at
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