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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 > carboxamide > monocarboxylic acid amide > arenecarboxamide > benzamides > salicylamides > agrobactin
... > organooxygen compound > carboxamide > monocarboxylic acid amide > arenecarboxamide > benzamides > salicylamides > agrobactin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > monocarboxylic acid amide > arenecarboxamide > benzamides > salicylamides > agrobactin

Preferred term

agrobactin  

Type

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

Broader concept

charge

  • 0

formula

  • C32H36N4O10

inchi

  • InChI=1S/C32H36N4O10/c1-18-25(35-31(46-18)21-10-6-13-24(39)28(21)42)32(45)36(17-7-15-34-30(44)20-9-5-12-23(38)27(20)41)16-3-2-14-33-29(43)19-8-4-11-22(37)26(19)40/h4-6,8-13,18,25,37-42H,2-3,7,14-17H2,1H3,(H,33,43)(H,34,44)/t18-,25+/m1/s1

inchikey

  • BWPMKVHHFNGYEN-CJAUYULYSA-N

mass

  • 636.658

monoisotopicmass

  • 636.24314

smiles

  • O=C(NCCCN(C(=O)[C@H]1N=C(C2=C(O)C(O)=CC=C2)O[C@@H]1C)CCCCNC(=O)C3=C(O)C(O)=CC=C3)C4=C(O)C(O)=CC=C4

subset

  • 2_STAR

synonym EXACT

  • (4S,5R)-N-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:211827

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