Structure Database (LMSD)
Common Name
6-Hydroxyluteolin 3'-methyl ether 6,7-disulfate
Systematic Name
Synonyms
3D model of 6-Hydroxyluteolin 3'-methyl ether 6,7-disulfate
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)
MXTKFVCPRZJWQJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O13S2/c1-26-11-4-7(2-3-8(11)17)10-5-9(18)14-12(27-10)6-13(28-30(20,21)22)16(15(14)19)29-31(23,24)25/h2-6,17,19H,1H3,(H,20,21,22)(H,23,24,25)
SMILES (Click to copy)
C1(OS(=O)(O)=O)=CC2OC(C3C=C(OC)C(O)=CC=3)=CC(=O)C=2C(O)=C1OS(=O)(O)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
31
Rings
3
Aromatic Rings
3
Rotatable Bonds
6
Van der Waals Molecular Volume
345.75
Topological Polar Surface Area
207.10
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
13
logP
4.65
Molar Refractivity
102.08
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Updated at
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