Structure Database (LMSD)

HO O HO OH O O
Common Name
Euchrestaflavanone C
Systematic Name
Synonyms
LM ID
LMPK12140507
Formula
C25H26O6
Exact Mass
Calculate m/z
422.17294
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

String Representations

InChiKey (Click to copy)
WUIDVBXGRNCTFU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H26O6/c1-13(2)5-6-15-17(26)10-19(28)23-20(29)12-22(30-24(15)23)16-9-14-7-8-25(3,4)31-21(14)11-18(16)27/h5,7-11,22,26-28H,6,12H2,1-4H3
SMILES (Click to copy)
C1(O)=C(C/C=C(\C)/C)C2OC(C3C(O)=CC4OC(C)(C)C=CC=4C=3)CC(=O)C=2C(O)=C1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2FALNP0003
PubChem CID
42608039

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 398.80
Topological Polar Surface Area 100.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 5.49
Molar Refractivity 117.58

Admin

Created at
-
Updated at
-