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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP021240

7-(Acetylsulfanylmethyl)-5-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

Formula: C18H24O11S  |  Mol. Weight: 448.40 g/mol

IUPAC: 7-(acetylsulfanylmethyl)-5-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

Overview

Molecular Formula C18H24O11S
Molecular Weight 448.40 g/mol
Canonical SMILES CC(=O)SCC1=CC(C2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy