Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK13110002
Common Name5-O-Methylvisamminol
Systematic Name-
Synonyms-
Exact Mass
290.1154 (neutral)    Calculate m/z:
FormulaC16H18O5
CategoryPolyketides [PK]
Main ClassAromatic polyketides [PK13]
Sub ClassBenzopyranoids [PK1311]
PubChem Compound ID (CID)441970
KEGG IDC09016
InChIKeyDGFLRNOCLJGHLY-ZDUSSCGKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H18O5/c1-8-5-10(17)14-12(20-8)7-11-9(15(14)19-4)6-13(21-11)16(2,3)18
/h5,7,13,18H,6H2,1-4H3/t13-/m0/s1
SMILESCC1=CC(=O)c2c(OC)c3C[C@@H](Oc3cc2O1)C(C)(C)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings3Aromatic Rings2Rotatable Bonds2
 van der Waals
Molecular Volume
257.23Topological Polar
Surface Area
70.97Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
5
 logP3.66Molar
Refractivity
79.32    
logo LIPID MAPS is funded by a Wellcome Trust.