skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > peptide > depsipeptide > pepticinnamin g
organooxygen compound > carboxamide > peptide > depsipeptide > pepticinnamin g
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > peptide > depsipeptide > pepticinnamin g
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > peptide > depsipeptide > pepticinnamin g
... > 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 > pepticinnamin g

Preferred term

pepticinnamin g  

Type

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

Broader concept

charge

  • 0

formula

  • C43H52ClN5O10

inchi

  • InChI=1S/C43H52ClN5O10/c1-6-7-8-11-28-12-9-10-13-29(28)17-21-36(51)46-32(22-27-14-18-31(50)19-15-27)41(55)49(4)34(23-30-16-20-35(58-5)39(53)38(30)44)42(56)48(3)26(2)43(57)59-25-33-40(54)45-24-37(52)47-33/h8-16,18-20,26,32-34,50,53H,6-7,17,21-25H2,1-5H3,(H,45,54)(H,46,51)(H,47,52)/b11-8-/t26-,32-,33+,34-/m0/s1

inchikey

  • GXICVNHVUHOCTR-CCXTWYSHSA-N

mass

  • 834.360

monoisotopicmass

  • 833.34027

smiles

  • ClC1=C(O)C(OC)=CC=C1C[C@H](N(C(=O)[C@@H](NC(=O)CCC2=C(C=CC=C2)/C=C/CCC)CC3=CC=C(O)C=C3)C)C(=O)N([C@H](C(=O)OC[C@H]4NC(=O)CNC4=O)C)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:221505

Download this concept:

RDF/XML TURTLE JSON-LD