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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > benzopyrrole > indoles > indolyl carboxylic acid > jbir-67
... > organic heterocyclic compound > organonitrogen heterocyclic compound > benzopyrrole > indoles > indolyl carboxylic acid > jbir-67
... > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzopyrrole > indoles > indolyl carboxylic acid > jbir-67
organooxygen compound > carbonyl compound > carboxylic acid > indolyl carboxylic acid > jbir-67
organooxygen compound > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > jbir-67
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > jbir-67
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > jbir-67

Preferred term

jbir-67  

Type

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

Broader concept

charge

  • 0

formula

  • C17H23NO3

inchi

  • InChI=1S/C17H23NO3/c1-11(2)5-4-8-17(3,21)15-10-13-9-12(16(19)20)6-7-14(13)18-15/h5-7,9,15,18,21H,4,8,10H2,1-3H3,(H,19,20)/t15-,17+/m1/s1

inchikey

  • ZXXIVRBMWGCUKJ-WBVHZDCISA-N

mass

  • 289.375

monoisotopicmass

  • 289.16779

smiles

  • O=C(O)C1=CC2=C(N[C@H](C2)[C@@](O)(CCC=C(C)C)C)C=C1

subset

  • 2_STAR

synonym EXACT

  • (2R)-2-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2,3-dihydro-1H-indole-5-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225336

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