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Chemistry, part 1

Content language

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Concept information

... > 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 carboxylic acid > smtp-12
... > organic heterocyclic compound > organonitrogen heterocyclic compound > benzopyrrole > indoles > indolyl carboxylic acid > smtp-12
... > organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzopyrrole > indoles > indolyl carboxylic acid > smtp-12
organooxygen compound > carbonyl compound > carboxylic acid > indolyl carboxylic acid > smtp-12
organooxygen compound > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > smtp-12
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > smtp-12
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > indolyl carboxylic acid > smtp-12

Preferred term

smtp-12  

Type

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

Broader concept

charge

  • 0

formula

  • C26H35NO6

inchi

  • InChI=1S/C26H35NO6/c1-15(2)8-6-9-16(3)10-7-11-26(5)22(29)13-19-21(28)12-18-20(23(19)33-26)14-27(24(18)30)17(4)25(31)32/h8,10,12,17,22,28-29H,6-7,9,11,13-14H2,1-5H3,(H,31,32)/t17-,22-,26-/m0/s1

inchikey

  • BOUSMZVXESTZFC-CGSPVCNISA-N

mass

  • 457.567

monoisotopicmass

  • 457.24644

smiles

  • O=C1N([C@H](C(=O)O)C)CC2=C1C=C(O)C3=C2O[C@]([C@@H](O)C3)(CCC=C(CCC=C(C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (2S)-2-[(2S,3S)-2-(4,8-dimethylnona-3,7-dienyl)-3,5-dihydroxy-2-methyl-7-oxo-4,9-dihydro-3H-pyrano[2,3-e]isoindol-8-yl]propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202506

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