Structure Database (LMSD)
Common Name
Ferreirin
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Ferreirin
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
CBEPNYOFLRIAGR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H14O6/c1-21-9-2-3-10(12(18)6-9)11-7-22-14-5-8(17)4-13(19)15(14)16(11)20/h2-6,11,17-19H,7H2,1H3
SMILES (Click to copy)
C1(O)=CC2OCC(C3=CC=C(OC)C=C3O)C(=O)C=2C(O)=C1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
3
Aromatic Rings
2
Rotatable Bonds
2
Van der Waals Molecular Volume
260.74
Topological Polar Surface Area
98.29
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
logP
2.46
Molar Refractivity
77.49
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Created at
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Updated at
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