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Chemistry, part 1

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Concept information

... > organooxygen compound > ester > carboxylic ester > lactone > cyclodepsipeptide > ic101
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > cyclodepsipeptide > ic101
organooxygen compound > ester > lactone > cyclodepsipeptide > ic101
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > peptide > depsipeptide > cyclodepsipeptide > ic101
... > organooxygen compound > carboxamide > peptide > depsipeptide > cyclodepsipeptide > ic101
... > 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 > ic101
... > 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 > ic101
... > 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 > ic101

Preferred term

ic101  

Type

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

Broader concept

charge

  • 0

formula

  • C39H66N8O13

inchi

  • InChI=1S/C39H66N8O13/c1-9-28-25(15-14-21(2)3)16-17-39(56,60-28)38(8,55)37(54)43-30-31(22(4)5)59-36(53)24(7)47(58)33(50)26-12-10-18-41-44(26)29(48)20-40-32(49)23(6)46(57)34(51)27-13-11-19-42-45(27)35(30)52/h21-28,30-31,41-42,55-58H,9-20H2,1-8H3,(H,40,49)(H,43,54)

inchikey

  • YDIQSISNBHYDIP-UHFFFAOYSA-N

mass

  • 855.000

monoisotopicmass

  • 854.47493

smiles

  • O=C1OC(C(NC(=O)C(O)(C2(OC(C(CCC(C)C)CC2)CC)O)C)C(=O)N3NCCCC3C(=O)N(O)C(C)C(NCC(N4C(C(N(C1C)O)=O)CCCN4)=O)=O)C(C)C

subset

  • 2_STAR

synonym EXACT

  • N-(7,21-dihydroxy-6,20-dimethyl-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacosan-16-yl)-2-[6-ethyl-2-hydroxy-5-(3-methylbutyl)oxan-2-yl]-2-hydroxypropanamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:198243

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