Structure Database (LMSD)

Systematic Name
Lespedezaflavanone F
Synonyms
LM ID
LMPK12140344
Formula
C27H32O5
Exact Mass
Calculate m/z
436.224975
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)
WGAIGQOQWHEZHO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C27H32O5/c1-15(2)7-9-18-13-19(10-12-22(18)31-6)23-14-21(28)24-26(30)20(11-8-16(3)4)25(29)17(5)27(24)32-23/h7-8,10,12-13,23,29-30H,9,11,14H2,1-6H3
SMILES (Click to copy)
C1(C/C=C(\C)/C)C(O)=C(C)C2OC(C3C=C(C/C=C(/C)\C)C(OC)=CC=3)CC(=O)C=2C=1O

Other Databases

CHEBI ID
186043
METABOLOMICS ID
FL2FABNI0003
PubChem CID
42607955

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 436.97
Topological Polar Surface Area 78.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 6.14
Molar Refractivity 126.09

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Updated at
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