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CHEBI:69418 - opacaline B

Default Structure
ChEBI IDCHEBI:69418
ChEBI Nameopacaline B
Stars
DefinitionA natural product found in Pseudodistoma opacum.
DownloadsMolfile
FormulaC16H20BrN5O.2C2F3O2
Net Charge0
Average Mass604.302
Monoisotopic Mass603.05520
SMILESNC(=[NH2+])NCCCCc1[nH+]ccc2c3ccc(Br)cc3n(O)c12.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F
InChIInChI=1S/C16H18BrN5O.2C2HF3O2/c17-10-4-5-11-12-6-8-20-13(3-1-2-7-21-16(18)19)15(12)22(23)14(11)9-10;2*3-2(4,5)1(6)7/h4-6,8-9,23H,1-3,7H2,(H4,18,19,21);2*(H,6,7)
InChIKeyDUFSUOKKDGWMPR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudodistoma opacum (WORMS:251228) - PubMed (21846091) MeOH extract of frozen specimens
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
opacaline B (CHEBI:69418) has role metabolite (CHEBI:25212)
opacaline B (CHEBI:69418) is a organic molecular entity (CHEBI:50860)
Citations