Structure Database (LMSD)

Common Name
Euchretin B
Systematic Name
Synonyms
LM ID
LMPK12160007
Formula
C25H24O7
Exact Mass
Calculate m/z
436.152205
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

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

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

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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