Structure Database (LMSD)

Common Name
Glyinflanin E
Systematic Name
Synonyms
LM ID
LMPK12120379
Formula
C25H28O6
Exact Mass
Calculate m/z
424.18859
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

String Representations

InChiKey (Click to copy)
VYEJOOFTJRPOCV-UUYOSTAYSA-N
InChi (Click to copy)
InChI=1S/C25H28O6/c1-14(2)5-6-17-10-19(25(31)13-23(17)29)24(30)12-22(28)16-7-8-20(26)18(9-16)11-21(27)15(3)4/h5,7-10,12-13,21,26-29,31H,3,6,11H2,1-2,4H3/b22-12-
SMILES (Click to copy)
C1(O)=CC(O)=C(C(=O)/C=C(\O)/C2C=CC(O)=C(CC(O)C(C)=C)C=2)C=C1C/C=C(/C)\C

References

Taxonomy Information

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

Other Databases

CHEBI ID
168190
METABOLOMICS ID
FL1CHYNI0005
PubChem CID
42607643

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 2
Aromatic Rings 2
Rotatable Bonds 8
Van der Waals Molecular Volume 420.88
Topological Polar Surface Area 118.22
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 6
logP 4.86
Molar Refractivity 120.99

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Created at
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Updated at
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