Structure Database (LMSD)
Common Name
Homoeriodictyol
Systematic Name
Synonyms
3D model of Homoeriodictyol
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)
FTODBIPDTXRIGS-ZDUSSCGKSA-N
InChi (Click to copy)
InChI=1S/C16H14O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-6,13,17-19H,7H2,1H3/t13-/m0/s1
SMILES (Click to copy)
C1(O)C=C2O[C@]([H])(C3C=CC(O)=C(OC)C=3)CC(=O)C2=C(O)C=1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Wikipedia
KEGG ID
CHEBI ID
METABOLOMICS ID
PubChem CID
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
2.52
Molar Refractivity
76.75
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Updated at
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