Structure Database (LMSD)

Common Name
Ulexin C
Systematic Name
Synonyms
LM ID
LMPK12050179
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)
ZCPMFYOKWFXSAI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H22O6/c1-24(2)8-7-14-9-13(5-6-17(14)31-24)16-12-29-19-11-18-15(22(26)21(19)23(16)27)10-20(30-18)25(3,4)28/h5-12,26,28H,1-4H3
SMILES (Click to copy)
C1(O)C2C=C(C(O)(C)C)OC=2C=C2OC=C(C3C=C4C=CC(C)(C)OC4=CC=3)C(=O)C=12

Other Databases

METABOLOMICS ID
FLIAAAND0002
PubChem CID
5323553

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 5
Aromatic Rings 4
Rotatable Bonds 2
Van der Waals Molecular Volume 362.00
Topological Polar Surface Area 95.11
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 6.51
Molar Refractivity 118.96

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Updated at
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