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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP035770

Petunidin 3-(6''-p-coumaroyl-glucoside)

Formula: C31H29O14+  |  Mol. Weight: 625.60 g/mol

IUPAC: [(2R,3S,4S,5R)-6-[2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

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Overview

Molecular Formula C31H29O14+
Molecular Weight 625.60 g/mol
Canonical SMILES COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)COC(=O)C=CC5=CC=C(C=C5)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy