Structure Database (LMSD)

Common Name
Glyinflanin F
Systematic Name
Synonyms
LM ID
LMPK12120371
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]
Chalcones and dihydrochalcones [PK1212]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
UMJBXAGJIISZLL-NDENLUEZSA-N
InChi (Click to copy)
InChI=1S/C25H28O6/c1-14(2)5-6-15-9-16(7-8-19(15)26)20(27)12-21(28)18-10-17-11-24(25(3,4)30)31-23(17)13-22(18)29/h5,7-10,12-13,24,26-27,29-30H,6,11H2,1-4H3/b20-12-
SMILES (Click to copy)
C12OC(C(C)(O)C)CC=1C=C(C(=O)/C=C(\O)/C1C=CC(O)=C(C/C=C(/C)\C)C=1)C(O)=C2

Other Databases

METABOLOMICS ID
FL1CHYNF0001
PubChem CID
42607640

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 5.04
Molar Refractivity 119.73

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Updated at
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