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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > ion > anion > polyatomic anion > oxoanion > chalcogen oxoanion > sulfur oxoanion > glycosinolate > glucosinolate > alkylglucosinolate > 4-phenylbutyl glucosinolate
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic anion > oxoanion > chalcogen oxoanion > sulfur oxoanion > glycosinolate > glucosinolate > alkylglucosinolate > 4-phenylbutyl glucosinolate
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic anion > oxoanion > chalcogen oxoanion > sulfur oxoanion > glycosinolate > glucosinolate > alkylglucosinolate > 4-phenylbutyl glucosinolate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxide > oxoanion > chalcogen oxoanion > sulfur oxoanion > glycosinolate > glucosinolate > alkylglucosinolate > 4-phenylbutyl glucosinolate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > chalcogen oxoanion > sulfur oxoanion > glycosinolate > glucosinolate > alkylglucosinolate > 4-phenylbutyl glucosinolate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > sulfur oxoanion > glycosinolate > glucosinolate > alkylglucosinolate > 4-phenylbutyl glucosinolate

Preferred term

4-phenylbutyl glucosinolate  

Type

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

Broader concept

charge

  • 0

formula

  • C17H25NO9S2

inchi

  • InChI=1S/C17H25NO9S2/c19-10-12-14(20)15(21)16(22)17(26-12)28-13(18-27-29(23,24)25)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,12,14-17,19-22H,4-5,8-10H2,(H,23,24,25)/b18-13+

inchikey

  • PJZFULXMEGMUDK-QGOAFFKASA-N

mass

  • 451.510

monoisotopicmass

  • 451.09707

smiles

  • S(C1OC(C(O)C(O)C1O)CO)/C(=N/OS(O)(=O)=O)/CCCCC2=CC=CC=C2

subset

  • 2_STAR

synonym EXACT

  • [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-5-phenyl-N-sulooxypentanimidothioate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:169658

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