Structure Database (LMSD)

Common Name
Uralenol
Systematic Name
Synonyms
LM ID
LMPK12112286
Formula
C20H18O7
Exact Mass
Calculate m/z
370.105255
Status
Curated
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)
WOMWVGHYSNATOB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H18O7/c1-9(2)3-4-10-5-11(6-14(23)17(10)24)20-19(26)18(25)16-13(22)7-12(21)8-15(16)27-20/h3,5-8,21-24,26H,4H2,1-2H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O)C(O)=C(C/C=C(\C)/C)C=3)=C(O)C(=O)C=2C(O)=C1

Other Databases

HMDB ID
HMDB0039732
CHEBI ID
175758
METABOLOMICS ID
FL5FACNI0002
PubChem CID
5315126

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 322.55
Topological Polar Surface Area 131.36
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 4.40
Molar Refractivity 99.49

Admin

Created at
-
Updated at
-