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CHEBI:756097 - pyrrobutamine phosphate

Default Structure
ChEBI IDCHEBI:756097
ChEBI Namepyrrobutamine phosphate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaH3O4P.C20H22ClN.H3O4P
Net Charge0
Average Mass507.844
Monoisotopic Mass507.09787
SMILESClc1ccc(C/C(=C\CN2CCCC2)c2ccccc2)cc1.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/C20H22ClN.2H3O4P/c21-20-10-8-17(9-11-20)16-19(18-6-2-1-3-7-18)12-15-22-13-4-5-14-22;2*1-5(2,3)4/h1-3,6-12H,4-5,13-16H2;2*(H3,1,2,3,4)/b19-12+;;
InChIKeyUAAAHOLLLRWGGL-SWFGUFHISA-N
ChEBI Ontology
Outgoing Relation(s)
pyrrobutamine phosphate (CHEBI:756097) is a stilbenoid (CHEBI:26776)