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Chemistry, part 1

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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > ibha#24
organooxygen compound > carbon oxoacid > carboxylic acid > monocarboxylic acid > ibha#24
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > monocarboxylic acid > ibha#24
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > monocarboxylic acid > ibha#24
... > organooxygen compound > carbonyl compound > carboxylic acid > hydroxy carboxylic acid > 3-hydroxy carboxylic acid > ibha#24
... > organooxygen compound > carbon oxoacid > carboxylic acid > hydroxy carboxylic acid > 3-hydroxy carboxylic acid > ibha#24
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > hydroxy carboxylic acid > 3-hydroxy carboxylic acid > ibha#24
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > hydroxy carboxylic acid > 3-hydroxy carboxylic acid > ibha#24
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > hydroxy carboxylic acid > 3-hydroxy carboxylic acid > ibha#24
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy carboxylic acid > 3-hydroxy carboxylic acid > ibha#24
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > hydroxy carboxylic acid > 3-hydroxy carboxylic acid > ibha#24
... > 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 > ibha#24
... > 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 > ibha#24
... > organic heterocyclic compound > organonitrogen heterocyclic compound > benzopyrrole > indoles > indolyl carboxylate ester > 1h-indole-3-carboxylate ester > 4-o-(1h-indol-3-ylcarbonyl)ascaroside > ibha#24
... > 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 > ibha#24
... > organooxygen compound > ester > carboxylic ester > indolyl carboxylate ester > 1h-indole-3-carboxylate ester > 4-o-(1h-indol-3-ylcarbonyl)ascaroside > ibha#24
... > organooxygen compound > carbonyl compound > carboxylic ester > indolyl carboxylate ester > 1h-indole-3-carboxylate ester > 4-o-(1h-indol-3-ylcarbonyl)ascaroside > ibha#24

Preferred term

ibha#24  

Type

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

Broader concept

charge

  • 0

formula

  • C29H43NO8

has_functional_parent

  • CHEBI:79232
  • CHEBI:79245

has_role

inchi

  • InChI=1S/C29H43NO8/c1-19(12-8-6-4-3-5-7-9-13-21(31)16-27(33)34)36-29-25(32)17-26(20(2)37-29)38-28(35)23-18-30-24-15-11-10-14-22(23)24/h10-11,14-15,18-21,25-26,29-32H,3-9,12-13,16-17H2,1-2H3,(H,33,34)/t19-,20+,21-,25-,26-,29-/m1/s1

inchikey

  • VEGIRKJOIIBEHY-HFAWLSGZSA-N

mass

  • 533.65360

monoisotopicmass

  • 533.29887

smiles

  • C[C@H](CCCCCCCCC[C@@H](O)CC(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

  • (3R,13R)-13-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy}-3-hydroxytetradecanoic acid

synonym RELATED

  • (3R,13R)-13-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy}-3-hydroxymyristic acid
  • 3R-hydroxy-13R-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-myristic acid
  • 3R-hydroxy-13R-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-tetradecanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:79357

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