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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP014314

coumaroyl(-6)Fruf(b2-1a)Glc

Formula: C21H28O13  |  Mol. Weight: 488.40 g/mol

IUPAC: [(2R,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate

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Overview

Molecular Formula C21H28O13
Molecular Weight 488.40 g/mol
Canonical SMILES C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(O2)(CO)OC3C(C(C(C(O3)CO)O)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy