Structure Database (LMSD)
Common Name
Robustic acid
Systematic Name
Synonyms
3D model of Robustic acid
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)
MBZKDBQDALOSRP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H20O6/c1-22(2)10-9-14-15(28-22)11-16-18(20(14)26-4)19(23)17(21(24)27-16)12-5-7-13(25-3)8-6-12/h5-11,23H,1-4H3
SMILES (Click to copy)
C12OC(C)(C)C=CC1=C(OC)C1C(O)=C(C3=CC=C(OC)C=C3)C(=O)OC=1C=2
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
28
Rings
4
Aromatic Rings
3
Rotatable Bonds
3
Van der Waals Molecular Volume
336.00
Topological Polar Surface Area
80.20
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
logP
5.55
Molar Refractivity
107.05
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Created at
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Updated at
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