Structure Database (LMSD)

Common Name
Ulexone C
Systematic Name
Synonyms
LM ID
LMPK12050178
Formula
C25H24O6
Exact Mass
Calculate m/z
420.15729
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)
RHNKNAQMIBBEOO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H24O6/c1-24(2)8-7-14-9-13(5-6-18(14)31-24)16-12-29-23-15-10-20(25(3,4)28)30-19(15)11-17(26)21(23)22(16)27/h5-9,11-12,20,26,28H,10H2,1-4H3
SMILES (Click to copy)
C12OC(C(O)(C)C)CC=1C1OC=C(C3=CC4C=CC(C)(C)OC=4C=C3)C(=O)C=1C(O)=C2

Other Databases

CHEBI ID
178571
METABOLOMICS ID
FLIAAAND0001
PubChem CID
14583602

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 5
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 375.54
Topological Polar Surface Area 93.27
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 6.18
Molar Refractivity 119.39

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Updated at
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