Structure Database (LMSD)

Common Name
Ulexone D
Systematic Name
Synonyms
LM ID
LMPK12050213
Formula
C25H22O6
Exact Mass
Calculate m/z
418.14164
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
FECHDMKKULRSDG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H22O6/c1-24(2)8-6-15-10-14(4-5-19(15)30-24)17-12-29-23-16-7-9-25(3,13-26)31-20(16)11-18(27)21(23)22(17)28/h4-12,26-27H,13H2,1-3H3
SMILES (Click to copy)
C12OC(C)(CO)C=CC=1C1OC=C(C3=CC4C=CC(C)(C)OC=4C=C3)C(=O)C=1C(O)=C2

Other Databases

METABOLOMICS ID
FLIAAANP0013
PubChem CID
14583603

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 5
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 372.90
Topological Polar Surface Area 93.27
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 6.26
Molar Refractivity 120.10

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Updated at
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