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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 > 1h-indole-3-carboxylic acid, 1-(2,3-dihydroxy-1,1-dimethylpropyl) methyl ester
... > organic heterocyclic compound > organonitrogen heterocyclic compound > benzopyrrole > indoles > indolyl carboxylic acid > 1h-indole-3-carboxylic acid, 1-(2,3-dihydroxy-1,1-dimethylpropyl) methyl ester
... > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzopyrrole > indoles > indolyl carboxylic acid > 1h-indole-3-carboxylic acid, 1-(2,3-dihydroxy-1,1-dimethylpropyl) methyl ester
organooxygen compound > carbonyl compound > carboxylic acid > indolyl carboxylic acid > 1h-indole-3-carboxylic acid, 1-(2,3-dihydroxy-1,1-dimethylpropyl) methyl ester
organooxygen compound > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > 1h-indole-3-carboxylic acid, 1-(2,3-dihydroxy-1,1-dimethylpropyl) methyl ester
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > 1h-indole-3-carboxylic acid, 1-(2,3-dihydroxy-1,1-dimethylpropyl) methyl ester
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > 1h-indole-3-carboxylic acid, 1-(2,3-dihydroxy-1,1-dimethylpropyl) methyl ester

Preferred term

1h-indole-3-carboxylic acid, 1-(2,3-dihydroxy-1,1-dimethylpropyl) methyl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C15H19NO4

inchi

  • InChI=1S/C15H19NO4/c1-15(2,13(18)9-17)16-8-11(14(19)20-3)10-6-4-5-7-12(10)16/h4-8,13,17-18H,9H2,1-3H3/t13-/m1/s1

inchikey

  • BLYSKLWIPQGBES-CYBMUJFWSA-N

mass

  • 277.320

monoisotopicmass

  • 277.13141

smiles

  • O[C@@H](C(N1C=2C(C(=C1)C(OC)=O)=CC=CC2)(C)C)CO

subset

  • 2_STAR

synonym EXACT

  • methyl 1-[(3S)-3,4-dihydroxy-2-methylbutan-2-yl]indole-3-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:189369

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