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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP001894

(4R)-2-hydroxy-4-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexa-2,5-dien-1-one

Formula: C13H18O8  |  Mol. Weight: 302.28 g/mol

IUPAC: (4R)-2-hydroxy-4-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexa-2,5-dien-1-one

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Overview

Molecular Formula C13H18O8
Molecular Weight 302.28 g/mol
Canonical SMILES CC1(C=CC(=O)C(=C1)O)OC2C(C(C(C(O2)CO)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy