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Chemistry, part 1

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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > icas#18
organooxygen compound > carbon oxoacid > carboxylic acid > monocarboxylic acid > icas#18
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > monocarboxylic acid > icas#18
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > monocarboxylic acid > icas#18
... > 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#18
... > 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#18
... > organic heterocyclic compound > organonitrogen heterocyclic compound > benzopyrrole > indoles > indolyl carboxylate ester > 1h-indole-3-carboxylate ester > 4-o-(1h-indol-3-ylcarbonyl)ascaroside > icas#18
... > 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#18
... > organooxygen compound > ester > carboxylic ester > indolyl carboxylate ester > 1h-indole-3-carboxylate ester > 4-o-(1h-indol-3-ylcarbonyl)ascaroside > icas#18
... > organooxygen compound > carbonyl compound > carboxylic ester > indolyl carboxylate ester > 1h-indole-3-carboxylate ester > 4-o-(1h-indol-3-ylcarbonyl)ascaroside > icas#18

Preferred term

icas#18  

Type

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

Broader concept

charge

  • 0

formula

  • C26H37NO7

has_functional_parent

  • CHEBI:78955
  • CHEBI:78956

has_role

inchi

  • InChI=1S/C26H37NO7/c1-17(11-7-5-3-4-6-8-14-24(29)30)32-26-22(28)15-23(18(2)33-26)34-25(31)20-16-27-21-13-10-9-12-19(20)21/h9-10,12-13,16-18,22-23,26-28H,3-8,11,14-15H2,1-2H3,(H,29,30)/t17-,18+,22-,23-,26-/m1/s1

inchikey

  • DSMPUNNKYCFRLT-RBYKYKMOSA-N

mass

  • 475.57450

monoisotopicmass

  • 475.25700

smiles

  • C[C@H](CCCCCCCCC(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

  • (10R)-10-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy}undecanoic acid

synonym RELATED

  • 10R-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-undecanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:79105

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