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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP028613

Cyanidin 3-rutinoside (chloride);Cyanidin 3-O-rutinoside (chloride);Sambucin (chloride)

Formula: C27H31ClO15  |  Mol. Weight: 631.00 g/mol

IUPAC: 2-[[6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol;chloride

Overview

Molecular Formula C27H31ClO15
Molecular Weight 631.00 g/mol
Canonical SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C(C=C4[O+]=C3C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O)O.[Cl-]

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy