Structure Database (LMSD)

OH OH HO O O
Common Name
Kanzonol A
Systematic Name
Synonyms
LM ID
LMPK12120377
Formula
C20H20O5
Exact Mass
Calculate m/z
340.131075
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
PSBQRXSCIFYKAX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O5/c1-12(2)3-4-13-9-14(5-8-17(13)22)18(23)11-20(25)16-7-6-15(21)10-19(16)24/h3,5-10,21-22,24H,4,11H2,1-2H3
SMILES (Click to copy)
C1(O)=CC=C(C(=O)CC(=O)C2C=CC(O)=C(C/C=C(\C)/C)C=2)C(O)=C1

References

Taxonomy Information

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

Other Databases

CHEBI ID
185091
METABOLOMICS ID
FL1CHYNI0003
PubChem CID
42607641

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 2
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 328.23
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 3.77
Molar Refractivity 94.29

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Updated at
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