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Chemistry, part 1

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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > icas#7
... > organooxygen compound > carbon oxoacid > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > icas#7
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > icas#7
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > icas#7
... > 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#7
... > 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#7
... > organic heterocyclic compound > organonitrogen heterocyclic compound > benzopyrrole > indoles > indolyl carboxylate ester > 1h-indole-3-carboxylate ester > 4-o-(1h-indol-3-ylcarbonyl)ascaroside > icas#7
... > 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#7
... > organooxygen compound > ester > carboxylic ester > indolyl carboxylate ester > 1h-indole-3-carboxylate ester > 4-o-(1h-indol-3-ylcarbonyl)ascaroside > icas#7
... > organooxygen compound > carbonyl compound > carboxylic ester > indolyl carboxylate ester > 1h-indole-3-carboxylate ester > 4-o-(1h-indol-3-ylcarbonyl)ascaroside > icas#7

Preferred term

icas#7  

Type

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

Broader concept

charge

  • 0

formula

  • C22H27NO7

has_functional_parent

has_role

inchi

  • InChI=1S/C22H27NO7/c1-13(7-3-6-10-20(25)26)28-22-18(24)11-19(14(2)29-22)30-21(27)16-12-23-17-9-5-4-8-15(16)17/h4-6,8-10,12-14,18-19,22-24H,3,7,11H2,1-2H3,(H,25,26)/b10-6+/t13-,14+,18-,19-,22-/m1/s1

inchikey

  • OVHQEHRYORHTRQ-KXXILVSQSA-N

mass

  • 417.45230

monoisotopicmass

  • 417.17875

smiles

  • C[C@H](CC/C=C/C(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

  • (2E,6R)-6-{[3,6-dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy}hept-2-enoic acid

synonym RELATED

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:79023

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