BETA-CYANIN

Structure

2D structure of BETA-CYANIN
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 6324775

Names and identifiers

Name

BETA-CYANIN

IUPAC name

(S,E)-1-((Z)-2-((S)-2,6-dicarboxy-2,3-dihydropyridin-4(1H)-ylidene)ethylidene)-6-hydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)indolin-1-ium-2-carboxylate

SMILES

C\1[C@H](NC(=C/C1=C\C=[N+]2[C@@H](CC3=CC(=C(C=C32)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)[O-])C(=O)O)C(=O)O

General information

Molecular formula

C24H26N2O13

Molecular weight

550.47 g/mol

Monoisotopic mass

550.1435 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Portulaca oleracea L. aerial parts -
List, P.H. and Horhammer, L., Hager's Handbuch der Pharmazeutischen Praxis, Vols. 2-6, Springer-Verlag, Berlin, 1969-1979.