Structure Database (LMSD)

Common Name
Uralene
Systematic Name
Synonyms
LM ID
LMPK12111615
Formula
C21H20O7
Exact Mass
Calculate m/z
384.120905
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
QSIXTSXIETZHGN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H20O7/c1-10(2)4-5-11-8-14(23)15(24)9-12(11)20-21(27-3)19(26)17-16(28-20)7-6-13(22)18(17)25/h4,6-9,22-25H,5H2,1-3H3
SMILES (Click to copy)
C1=CC2OC(C3C(C/C=C(\C)/C)=CC(O)=C(O)C=3)=C(OC)C(=O)C=2C(O)=C1O

Other Databases

HMDB ID
HMDB0040934
CHEBI ID
175907
METABOLOMICS ID
FL5F9ANI0001
PubChem CID
192490

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 3
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 339.85
Topological Polar Surface Area 120.36
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 4.70
Molar Refractivity 104.37

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Updated at
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