skip to main content

Chemistry, part 1

Content language

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

Concept information

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

Preferred term

beauvenniatin b  

Type

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

Broader concept

charge

  • 0

formula

  • C37H57N3O9

inchi

  • InChI=1S/C37H57N3O9/c1-20(2)27-36(45)48-29(22(5)6)32(41)38(11)26(19-25-17-15-14-16-18-25)35(44)47-30(23(7)8)33(42)39(12)28(21(3)4)37(46)49-31(24(9)10)34(43)40(27)13/h14-18,20-24,26-31H,19H2,1-13H3/t26-,27-,28-,29+,30+,31+/m0/s1

inchikey

  • HDFNBENXFQJWEM-JYMVZIKVSA-N

mass

  • 687.875

monoisotopicmass

  • 687.40948

smiles

  • O=C1O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(O[C@@H](C(N([C@H]1C(C)C)C)=O)C(C)C)=O)CC2=CC=CC=C2)C)C(C)C)C(C)C)C)C(C)C

subset

  • 2_STAR

synonym EXACT

  • (3S,6R,9S,12R,15S,18R)-3-benzyl-4,10,16-trimethyl-6,9,12,15,18-penta(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:222743

Download this concept:

RDF/XML TURTLE JSON-LD