BETANIN
Drag to rotate, scroll to zoom
Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 53315704
Name
BETANIN
IUPAC name
(2R,E)-1-((E)-2-((R)-2,6-dicarboxy-2,3-dihydropyridin-4(1H)-ylidene)ethylidene)-6-hydroxy-5-(((2R,3S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)indolin-1-ium-2-carboxylate
SMILES
OCC1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](OC2=C(O)C=C(/[N+]([C@@H]([C@]([O-])=O)C4)=C/C=C3\C[C@H]([C@](O)=O)NC(C(O)=O)=C3)C4=C2)O1
Molecular formula
C24H26N2O13
Molecular weight
550.47 g/mol
Monoisotopic mass
550.1435 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Phytolacca americana L. | aerial parts | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|