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Chemistry, part 1

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Concept information

organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > ibha#30
organooxygen compound > carbon oxoacid > carboxylic acid > monocarboxylic acid > ibha#30
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > monocarboxylic acid > ibha#30
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > monocarboxylic acid > ibha#30
... > organooxygen compound > carbonyl compound > carboxylic acid > hydroxy carboxylic acid > 3-hydroxy carboxylic acid > ibha#30
... > organooxygen compound > carbon oxoacid > carboxylic acid > hydroxy carboxylic acid > 3-hydroxy carboxylic acid > ibha#30
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > hydroxy carboxylic acid > 3-hydroxy carboxylic acid > ibha#30
... > 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#30
... > 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#30
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxy carboxylic acid > 3-hydroxy carboxylic acid > ibha#30
... > 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#30
... > 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#30
... > 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#30
... > organic heterocyclic compound > organonitrogen heterocyclic compound > benzopyrrole > indoles > indolyl carboxylate ester > 1h-indole-3-carboxylate ester > 4-o-(1h-indol-3-ylcarbonyl)ascaroside > ibha#30
... > 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#30
... > organooxygen compound > ester > carboxylic ester > indolyl carboxylate ester > 1h-indole-3-carboxylate ester > 4-o-(1h-indol-3-ylcarbonyl)ascaroside > ibha#30
... > organooxygen compound > carbonyl compound > carboxylic ester > indolyl carboxylate ester > 1h-indole-3-carboxylate ester > 4-o-(1h-indol-3-ylcarbonyl)ascaroside > ibha#30

Preferred term

ibha#30  

Type

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

Broader concept

charge

  • 0

formula

  • C32H49NO8

has_functional_parent

  • CHEBI:79235
  • CHEBI:79249

has_role

inchi

  • InChI=1S/C32H49NO8/c1-22(15-11-9-7-5-3-4-6-8-10-12-16-24(34)19-30(36)37)39-32-28(35)20-29(23(2)40-32)41-31(38)26-21-33-27-18-14-13-17-25(26)27/h13-14,17-18,21-24,28-29,32-35H,3-12,15-16,19-20H2,1-2H3,(H,36,37)/t22-,23+,24-,28-,29-,32-/m1/s1

inchikey

  • RHGNPNMYKQDMAV-VHJGPELESA-N

mass

  • 575.73340

monoisotopicmass

  • 575.34582

smiles

  • C[C@H](CCCCCCCCCCCC[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,16R)-16-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy}-3-hydroxyheptadecanoic acid

synonym RELATED

  • (3R,16R)-16-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy}-3-hydroxymargaric acid
  • 3R-hydroxy-16R-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-heptadecanoic acid
  • 3R-hydroxy-16R-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-margaric acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:79360

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