Structure Database (LMSD)

Common Name
Flemiflavanone A
Systematic Name
Synonyms
LM ID
LMPK12140466
Formula
C26H30O6
Exact Mass
Calculate m/z
438.20424
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)
QEGPSSPBJOHJHG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H30O6/c1-14(2)6-9-18-24(29)19(10-7-15(3)4)26-23(25(18)30)21(28)13-22(32-26)17-11-8-16(31-5)12-20(17)27/h6-8,11-12,22,27,29-30H,9-10,13H2,1-5H3
SMILES (Click to copy)
C1(O)=C(C/C=C(\C)/C)C2OC(C3C(O)=CC(OC)=CC=3)CC(=O)C=2C(O)=C1C/C=C(\C)/C

Other Databases

METABOLOMICS ID
FL2FALNI0005
PubChem CID
14531501

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 3
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 428.46
Topological Polar Surface Area 98.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 5.54
Molar Refractivity 123.02

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Updated at
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