Structure Database (LMSD)

Common Name
Sophoraflavanone E
Systematic Name
Synonyms
LM ID
LMPK12140474
Formula
C25H28O7
Exact Mass
Calculate m/z
440.183505
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)
NBXHGQNYFQNPLU-VGOFMYFVSA-N
InChi (Click to copy)
InChI=1S/C25H28O7/c1-13(2)5-4-6-14(3)7-8-16-17(27)11-20(30)24-21(31)12-22(32-25(16)24)23-18(28)9-15(26)10-19(23)29/h5,7,9-11,22,26-30H,4,6,8,12H2,1-3H3/b14-7+
SMILES (Click to copy)
C1C(O)=C(C/C=C(\C)/CC/C=C(\C)/C)C2OC(C3C(O)=CC(O)=CC=3O)CC(=O)C=2C=1O

Other Databases

METABOLOMICS ID
FL2FALNI0013
PubChem CID
42608022

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 419.95
Topological Polar Surface Area 129.52
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 5.16
Molar Refractivity 119.65

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Updated at
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