Structure Database (LMSD)

Common Name
5-O-Methylhoslundin
Systematic Name
Synonyms
LM ID
LMPK12110154
Formula
C24H20O7
Exact Mass
Calculate m/z
420.120905
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)
YZMKUGIAIUCXMP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C24H20O7/c1-13-23(28-3)22(26)15(12-30-13)20-18(27-2)11-19-21(24(20)29-4)16(25)10-17(31-19)14-8-6-5-7-9-14/h5-12H,1-4H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC=CC=3)=CC(=O)C=2C(OC)=C1C1C(=O)C(OC)=C(C)OC=1

Other Databases

CHEBI ID
185658
METABOLOMICS ID
FL3FA9NC0001
PubChem CID
15726099

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 4
Rotatable Bonds 5
Van der Waals Molecular Volume 363.21
Topological Polar Surface Area 88.11
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
logP 6.21
Molar Refractivity 116.50

Admin

Created at
-
Updated at
-