Structure Database (LMSD)

Common Name
Monotesone A
Systematic Name
5,7,3'-Trihydroxy-4'-O-prenylflavanone
Synonyms
LM ID
LMPK12140406
Formula
C20H20O6
Exact Mass
Calculate m/z
356.12599
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)
UIFXCAYUHZVWHR-SFHVURJKSA-N
InChi (Click to copy)
InChI=1S/C20H20O6/c1-11(2)5-6-25-17-4-3-12(7-14(17)22)18-10-16(24)20-15(23)8-13(21)9-19(20)26-18/h3-5,7-9,18,21-23H,6,10H2,1-2H3/t18-/m0/s1
SMILES (Click to copy)
C1(O)C=C2O[C@H](C3C=C(O)C(OC/C=C(/C)\C)=CC=3)CC(=O)C2=C(O)C=1

Other Databases

CHEBI ID
66400
METABOLOMICS ID
FL2FACNI0012
PubChem CID
10498463

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 327.30
Topological Polar Surface Area 98.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 4.14
Molar Refractivity 95.61

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Updated at
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