Structure Database (LMSD)

Common Name
Kievitol
Systematic Name
Synonyms
LM ID
LMPK12050488
Formula
C20H20O7
Exact Mass
Calculate m/z
372.120905
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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)
VNIOZYSNZVSDPU-WTDSWWLTSA-N
InChi (Click to copy)
InChI=1S/C20H20O7/c1-10(8-21)2-4-13-16(24)7-17(25)18-19(26)14(9-27-20(13)18)12-5-3-11(22)6-15(12)23/h2-3,5-7,14,21-25H,4,8-9H2,1H3/b10-2+
SMILES (Click to copy)
C1(O)C=C(O)C2C(=O)C(C3=C(O)C=C(O)C=C3)COC=2C=1C/C=C(/CO)\C

Other Databases

CHEBI ID
175807
METABOLOMICS ID
FLIBALNI0010
PubChem CID
44257390

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 336.09
Topological Polar Surface Area 129.52
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 2.92
Molar Refractivity 97.64

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Updated at
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