skip to main content

Chemistry, part 2

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

organooxygen compound > ester > carboxylic ester > fatty acid ester > benzyl 2-methyl-3-hydroxybutanoate
organooxygen compound > carbonyl compound > carboxylic ester > fatty acid ester > benzyl 2-methyl-3-hydroxybutanoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > fatty acid ester > benzyl 2-methyl-3-hydroxybutanoate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > fatty acid ester > benzyl 2-methyl-3-hydroxybutanoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > fatty acid derivative > fatty acid ester > benzyl 2-methyl-3-hydroxybutanoate
organooxygen compound > ester > carboxylic ester > benzyl ester > benzyl 2-methyl-3-hydroxybutanoate
organooxygen compound > carbonyl compound > carboxylic ester > benzyl ester > benzyl 2-methyl-3-hydroxybutanoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > benzyl ester > benzyl 2-methyl-3-hydroxybutanoate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > benzyl ester > benzyl 2-methyl-3-hydroxybutanoate

Preferred term

benzyl 2-methyl-3-hydroxybutanoate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

Narrower concepts

charge

  • 0

formula

  • C12H16O3

has_functional_parent

inchi

  • InChI=1S/C12H16O3/c1-9(10(2)13)12(14)15-8-11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3

inchikey

  • VDARBCCMTDKLBW-UHFFFAOYSA-N

mass

  • 208.25360

monoisotopicmass

  • 208.10994

smiles

  • CC(O)C(C)C(=O)OCc1ccccc1

subset

  • 3_STAR

synonym EXACT

  • benzyl 3-hydroxy-2-methylbutanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:22748

Download this concept:

RDF/XML TURTLE JSON-LD