Structure Database (LMSD)
Common Name
3',4',5'-Trihydroxywogonin
Systematic Name
Synonyms
3D model of 3',4',5'-Trihydroxywogonin
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)
FMMAFSFULCBCAE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H12O8/c1-23-15-11(21)4-7(17)13-8(18)5-12(24-16(13)15)6-2-9(19)14(22)10(20)3-6/h2-5,17,19-22H,1H3
SMILES (Click to copy)
C1(O)=C(OC)C2OC(C3C=C(O)C(O)=C(O)C=3)=CC(=O)C=2C(O)=C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
3
Aromatic Rings
3
Rotatable Bonds
2
Van der Waals Molecular Volume
264.78
Topological Polar Surface Area
140.59
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
8
logP
2.90
Molar Refractivity
82.90
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Updated at
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