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 > monocarboxylic acid amide > (+)-aplysinillin
organooxygen compound > carboxamide > monocarboxylic acid amide > (+)-aplysinillin
... > 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 > (+)-aplysinillin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > alkaloid > (+)-aplysinillin
... > chemical entity > molecular entity > ion > cation > organic cation > methylium > (+)-aplysinillin
... > chemical entity > molecular entity > ion > organic ion > organic cation > methylium > (+)-aplysinillin
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic cation > methylium > (+)-aplysinillin

Preferred term

(+)-aplysinillin  

Type

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

Broader concept

charge

  • 0

formula

  • C23H24Br4N4O8

has_functional_parent

has_role

inchi

  • InChI=1S/C23H24Br4N4O8/c1-37-17-11(25)7-23(19(34)15(17)27)9-13(31-39-23)21(36)29-5-3-2-4-28-20(35)12-8-22(38-30-12)6-10(24)16(32)14(26)18(22)33/h6-7,14,18-19,33-34H,2-5,8-9H2,1H3,(H,28,35)(H,29,36)/t14-,18+,19-,22-,23+/m0/s1

inchikey

  • ONDRQQMSEBCZNC-XXYODPDXSA-N

mass

  • 804.07500

monoisotopicmass

  • 799.83277

smiles

  • COC1=C(Br)[C@H](O)[C@]2(CC(=NO2)C(=O)NCCCCNC(=O)C2=NO[C@]3(C2)C=C(Br)C(=O)[C@H](Br)[C@H]3O)C=C1Br

subset

  • 3_STAR

synonym EXACT

  • (5S,10R)-7,9-dibromo-N-[4-({[(5R,9R,10S)-7,9-dibromo-10-hydroxy-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,6-dien-3-yl]carbonyl}amino)butyl]-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:65417

Download this concept:

RDF/XML TURTLE JSON-LD