Structure Database (LMSD)

Common Name
Glyinflanin C
Systematic Name
Synonyms
LM ID
LMPK12120388
Formula
C25H26O5
Exact Mass
Calculate m/z
406.178025
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)
KEPOAXFVMYKOPY-BKUYFWCQSA-N
InChi (Click to copy)
InChI=1S/C25H26O5/c1-15(2)5-6-16-11-17(7-8-20(16)26)21(27)13-22(28)19-12-18-9-10-25(3,4)30-24(18)14-23(19)29/h5,7-14,26-27,29H,6H2,1-4H3/b21-13-
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C=C(C(=O)/C=C(\O)/C1C=CC(O)=C(C/C=C(\C)/C)C=1)C(O)=C2

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL1CHYNP0004
PubChem CID
42607648

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 3
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 399.73
Topological Polar Surface Area 89.06
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 5.86
Molar Refractivity 118.54

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Created at
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Updated at
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