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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP028737

Onind

Formula: C36H44O12  |  Mol. Weight: 668.70 g/mol

IUPAC: 4-[[3-[[2,6-dihydroxy-3,3-dimethyl-5-(2-methylpropanoyl)-4-oxocyclohexa-1,5-dien-1-yl]methyl]-2,4,6-trihydroxy-5-(2-methylpropanoyl)phenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one

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Overview

Molecular Formula C36H44O12
Molecular Weight 668.70 g/mol
Canonical SMILES CC(C)C(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)C(C)C)(C)C)O)O)CC3=C(C(C(=O)C(=C3O)C(=O)C(C)C)(C)C)O)O

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy