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Chemistry, part 1

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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > icas#12
organooxygen compound > carbon oxoacid > carboxylic acid > monocarboxylic acid > icas#12
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > monocarboxylic acid > icas#12
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > monocarboxylic acid > icas#12
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > fatty acid derivative > hydroxy fatty acid ascaroside > 4-o-(1h-indol-3-ylcarbonyl)ascaroside > icas#12
... > 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 carboxylate ester > 1h-indole-3-carboxylate ester > 4-o-(1h-indol-3-ylcarbonyl)ascaroside > icas#12
... > organic heterocyclic compound > organonitrogen heterocyclic compound > benzopyrrole > indoles > indolyl carboxylate ester > 1h-indole-3-carboxylate ester > 4-o-(1h-indol-3-ylcarbonyl)ascaroside > icas#12
... > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzopyrrole > indoles > indolyl carboxylate ester > 1h-indole-3-carboxylate ester > 4-o-(1h-indol-3-ylcarbonyl)ascaroside > icas#12
... > organooxygen compound > ester > carboxylic ester > indolyl carboxylate ester > 1h-indole-3-carboxylate ester > 4-o-(1h-indol-3-ylcarbonyl)ascaroside > icas#12
... > organooxygen compound > carbonyl compound > carboxylic ester > indolyl carboxylate ester > 1h-indole-3-carboxylate ester > 4-o-(1h-indol-3-ylcarbonyl)ascaroside > icas#12

Preferred term

icas#12  

Type

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

Broader concept

charge

  • 0

formula

  • C21H27NO7

has_functional_parent

has_role

inchi

  • InChI=1S/C21H27NO7/c1-12(6-5-9-19(24)25)27-21-17(23)10-18(13(2)28-21)29-20(26)15-11-22-16-8-4-3-7-14(15)16/h3-4,7-8,11-13,17-18,21-23H,5-6,9-10H2,1-2H3,(H,24,25)/t12-,13+,17-,18-,21-/m1/s1

inchikey

  • AHNZPQNYGMNACV-PNNYZDKCSA-N

is_conjugate_acid_of

mass

  • 405.44160

monoisotopicmass

  • 405.17875

smiles

  • C[C@H](CCCC(O)=O)O[C@@H]1O[C@@H](C)[C@@H](C[C@H]1O)OC(=O)c1c[nH]c2ccccc12

subset

  • 3_STAR

synonym EXACT

  • (5R)-5-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy}hexanoic acid

synonym RELATED

  • 5R-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-hexanoic acid
  • IC-asc-C6

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:79060

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