Structure Database (LMSD)

Common Name
Ougenin
Systematic Name
Synonyms
LM ID
LMPK12050491
Formula
C17H16O6
Exact Mass
Calculate m/z
316.09469
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)
PGEJLQOKKPXIBE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H16O6/c1-8-13(22-2)6-14-15(16(8)20)17(21)11(7-23-14)10-4-3-9(18)5-12(10)19/h3-6,11,18-20H,7H2,1-2H3
SMILES (Click to copy)
C1(OC)=CC2OCC(C3=CC=C(O)C=C3O)C(=O)C=2C(O)=C1C

Other Databases

METABOLOMICS ID
FLIBALNM0001
PubChem CID
44257391

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 278.04
Topological Polar Surface Area 98.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 2.76
Molar Refractivity 82.22

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Updated at
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