Structure Database (LMSD)

O OH OH HO O O
Common Name
Cyclokievitone
Systematic Name
Synonyms
LM ID
LMPK12050493
Formula
C20H18O6
Exact Mass
Calculate m/z
354.11034
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
AWLFGFDTGPLHKG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H18O6/c1-20(2)6-5-12-16(26-20)8-15(23)17-18(24)13(9-25-19(12)17)11-4-3-10(21)7-14(11)22/h3-8,13,21-23H,9H2,1-2H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OCC(C3=CC=C(O)C=C3O)C(=O)C=1C(O)=C2

References

Taxonomy Information

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

Other Databases

KEGG ID
C10207
HMDB ID
HMDB0033983
CHEBI ID
4019
METABOLOMICS ID
FLIBALNP0002
PubChem CID
156777

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 314.94
Topological Polar Surface Area 100.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 3.92
Molar Refractivity 95.19

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Updated at
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