Structure Database (LMSD)
Common Name
Rhamnocitrin 3-O-sulfate
Systematic Name
Synonyms
3D model of Rhamnocitrin 3-O-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)
SUOFUBGWTRZSQA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O9S/c1-23-10-6-11(18)13-12(7-10)24-15(8-2-4-9(17)5-3-8)16(14(13)19)25-26(20,21)22/h2-7,17-18H,1H3,(H,20,21,22)
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC(O)=CC=3)=C(OS(O)(=O)=O)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
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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Updated at
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