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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP036140

DIBOA dihexose

Formula: C21H29NO15  |  Mol. Weight: 535.50 g/mol

IUPAC: (2R)-2-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-7-methoxy-1,4-benzoxazin-3-one

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Overview

Molecular Formula C21H29NO15
Molecular Weight 535.50 g/mol
Canonical SMILES COC1=CC2=C(C=C1)N(C(=O)C(O2)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy