Structure Database (LMSD)

OH O O OH O
Common Name
Glyinflanin G
Systematic Name
Synonyms
LM ID
LMPK12120085
Formula
C25H24O5
Exact Mass
Calculate m/z
404.162375
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)
JIQHAMDPLDKKBS-FNORWQNLSA-N
InChi (Click to copy)
InChI=1S/C25H24O5/c1-24(2)12-10-18-21(29-24)8-6-17(22(18)28)19(26)7-5-15-13-16-9-11-25(3,4)30-23(16)20(27)14-15/h5-14,27-28H,1-4H3/b7-5+
SMILES (Click to copy)
C1=C(O)C2OC(C)(C)C=CC=2C=C1/C=C/C(=O)C1C(O)=C2C=CC(C)(C)OC2=CC=1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL1C1ANP0010
PubChem CID
15233561

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 387.37
Topological Polar Surface Area 80.13
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 5.94
Molar Refractivity 118.08

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Updated at
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