Structure Database (LMSD)

Common Name
Flemiflavanone D
Systematic Name
Synonyms
LM ID
LMPK12140284
Formula
C25H28O6
Exact Mass
Calculate m/z
424.18859
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)
NTHBAQJPQOMDRE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H28O6/c1-13(2)5-7-16-18(27)11-19(28)23-20(29)12-21(30-24(16)23)14-6-8-17(26)15(9-14)10-22-25(3,4)31-22/h5-6,8-9,11,21-22,26-28H,7,10,12H2,1-4H3
SMILES (Click to copy)
C1(O)=C(C/C=C(\C)/C)C2OC(C3C=C(CC4OC4(C)C)C(O)=CC=3)CC(=O)C=2C(O)=C1

Other Databases

CHEBI ID
186623
METABOLOMICS ID
FL2FAANI0010
PubChem CID
42607928

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 401.44
Topological Polar Surface Area 101.59
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 5.31
Molar Refractivity 117.01

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Updated at
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