Structure Database (LMSD)

Common Name
Glyinflanin D
Systematic Name
Synonyms
LM ID
LMPK12120389
Formula
C25H24O5
Exact Mass
Calculate m/z
404.162375
Status
Active
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)
PHVKLPYOWVVQIN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H24O5/c1-24(2)9-7-16-11-15(5-6-22(16)29-24)19(26)13-20(27)18-12-17-8-10-25(3,4)30-23(17)14-21(18)28/h5-12,14,28H,13H2,1-4H3
SMILES (Click to copy)
C12OC(C)(C)C=CC1=CC(C(=O)CC(=O)C1C(O)=CC3OC(C)(C)C=CC=3C=1)=CC=2

Other Databases

METABOLOMICS ID
FL1CHYNP0005
PubChem CID
42607649

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 387.37
Topological Polar Surface Area 76.97
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 5.79
Molar Refractivity 116.33

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Updated at
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