Structure Database (LMSD)

Common Name
Exiguaflavanone A
Systematic Name
Synonyms
LM ID
LMPK12140111
Formula
C25H28O6
Exact Mass
Calculate m/z
424.18859
Status
Curated
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)
FPUREMWTZVLZBZ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H28O6/c1-13(2)8-9-15(14(3)4)10-16-19(28)11-20(29)24-21(30)12-22(31-25(16)24)23-17(26)6-5-7-18(23)27/h5-8,11,15,22,26-29H,3,9-10,12H2,1-2,4H3
SMILES (Click to copy)
C1C(O)=C(CC(C(C)=C)C/C=C(\C)/C)C2OC(C3C(O)=CC=CC=3O)CC(=O)C=2C=1O

Other Databases

METABOLOMICS ID
FL2FA8NI0002
PubChem CID
10070990

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 411.16
Topological Polar Surface Area 109.29
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 5.31
Molar Refractivity 117.92

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Updated at
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