Structure Database (LMSD)

Common Name
Euchretin B
Systematic Name
Synonyms
LM ID
LMPK12160007
Status
Active
Exact Mass
Calculate m/z
436.152205
Formula
C25H24O7
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Other Flavonoids [PK1216]

String Representations

InChiKey (Click to copy)
JXRCOUGAFJVKOJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H24O7/c1-11(2)5-7-13-16(26)10-17(27)20-22(30)19-15-9-18(28)21(29)14(8-6-12(3)4)23(15)31-25(19)32-24(13)20/h5-6,9-10,26-29H,7-8H2,1-4H3
SMILES (Click to copy)
C1(O)=C(C/C=C(/C)\C)C2OC3OC4C(=CC(O)=C(O)C=4C/C=C(/C)\C)C=3C(=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
FLIG1LNI0005
PubChem CID
15138441

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 4
Rotatable Bonds 4
Van der Waals Molecular Volume 383.15
Topological Polar Surface Area 124.27
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 6.43
Molar Refractivity 122.80

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Updated at
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