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Chemistry, part 1

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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > cyclodepsipeptide > jbir-05
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > cyclodepsipeptide > jbir-05
organooxygen compound > ester > lactone > cyclodepsipeptide > jbir-05
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > peptide > depsipeptide > cyclodepsipeptide > jbir-05
... > organooxygen compound > carboxamide > peptide > depsipeptide > cyclodepsipeptide > jbir-05
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > depsipeptide > cyclodepsipeptide > jbir-05
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > depsipeptide > cyclodepsipeptide > jbir-05
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > peptide > depsipeptide > cyclodepsipeptide > jbir-05

Preferred term

jbir-05  

Type

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

Broader concept

charge

  • 0

formula

  • C33H42N2O11

inchi

  • InChI=1S/C33H42N2O11/c1-7-17(2)26-31(41)43-18(3)24(35-28(38)21-14-11-15-22(34)25(21)36)30(40)44-19(4)29(39)45-23(16-20-12-9-8-10-13-20)27(37)33(5,6)32(42)46-26/h8-15,17-19,23-24,26-27,36-37H,7,16,34H2,1-6H3,(H,35,38)/t17-,18-,19-,23+,24-,26-,27-/m0/s1

inchikey

  • QJVZZMMSEIMRQA-SUXMPZHRSA-N

mass

  • 642.702

monoisotopicmass

  • 642.27886

smiles

  • O=C1O[C@H](C(=O)O[C@H]([C@H](NC(=O)C2=C(O)C(N)=CC=C2)C(=O)O[C@H](C(O[C@@H]([C@@H](C1(C)C)O)CC3=CC=CC=C3)=O)C)C)[C@H](CC)C

subset

  • 2_STAR

synonym EXACT

  • 3-amino-N-[(3S,6S,7S,10S,14R,15R)-15-benzyl-10-[(2S)-butan-2-yl]-14-hydroxy-3,7,13,13-tetramethyl-2,5,9,12-tetraoxo-1,4,8,11-tetraoxacyclopentadec-6-yl]-2-hydroxybenzamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216300

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