Structure Database (LMSD)
Common Name
3'-O-methylbatatasin III
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of 3'-O-methylbatatasin III
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
FDJURJXPMJANDW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H18O3/c1-18-15-5-3-4-12(9-15)6-7-13-8-14(17)11-16(10-13)19-2/h3-5,8-11,17H,6-7H2,1-2H3
SMILES (Click to copy)
C1=C(OC)C=C(CCC2=CC(OC)=CC=C2)C=C1O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
2
Aromatic Rings
2
Rotatable Bonds
5
Van der Waals Molecular Volume
249.37
Topological Polar Surface Area
38.69
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
3.19
Molar Refractivity
75.06
Admin
Created at
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Updated at
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