Structure Database (LMSD)
Common Name
9-O-Methylglyceofuran
Systematic Name
Synonyms
3D model of 9-O-Methylglyceofuran
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
String Representations
InChiKey (Click to copy)
XRYDGCQYNMEJEL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H20O6/c1-20(2,22)18-7-11-6-13-16(9-15(11)26-18)25-10-21(23)14-5-4-12(24-3)8-17(14)27-19(13)21/h4-9,19,22-23H,10H2,1-3H3
SMILES (Click to copy)
C12OC(C(O)(C)C)=CC1=CC1C3OC4=CC(OC)=CC=C4C3(O)COC=1C=2
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
5
Aromatic Rings
2
Rotatable Bonds
2
Van der Waals Molecular Volume
322.52
Topological Polar Surface Area
83.59
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
logP
3.48
Molar Refractivity
98.10
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Updated at
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