Structure Database (LMSD)
Common Name
Hispidulin 4'-sulfate
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Hispidulin 4'-sulfate
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)
YGPUEGZSDQVYKY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O9S/c1-23-16-11(18)7-13-14(15(16)19)10(17)6-12(24-13)8-2-4-9(5-3-8)25-26(20,21)22/h2-7,18-19H,1H3,(H,20,21,22)
SMILES (Click to copy)
C12C=C(O)C(OC)=C(O)C=1C(=O)C=C(C1C=CC(OS(O)(=O)=O)=CC=1)O2
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
3
Aromatic Rings
3
Rotatable Bonds
4
Van der Waals Molecular Volume
292.08
Topological Polar Surface Area
143.50
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
9
logP
4.21
Molar Refractivity
89.99
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Created at
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Updated at
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