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CHEBI:138815 - Prorocentrolide

ChEBI IDCHEBI:138815
ChEBI NameProrocentrolide
Stars
Last Modified25 October 2017
Submittermwilliams
DownloadsMolfile
FormulaC56H85NO13
Net Charge0
Average Mass980.290
Monoisotopic Mass979.60209
SMILESC=C1CCCC2OC(CC3=CC4/C(C)=C/CC(C)CC(/C=C(\C)C(O)C5CC(O)C(O)C(CCC(O)/C=C/C(C)=C/CCC6=NCCC(C3)C64C)O5)OC(=O)CC3CC(O)C(O3)C(O)C1)CC(O)C2O
InChIInChI=1S/C56H85NO13/c1-31-9-8-12-50-56(6)37(19-20-57-50)24-36-25-40-27-43(59)53(65)47(67-40)11-7-10-32(2)22-45(61)55-46(62)28-41(69-55)29-51(63)68-39(21-33(3)13-15-34(4)42(56)26-36)23-35(5)52(64)49-30-44(60)54(66)48(70-49)18-17-38(58)16-14-31/h9,14-16,23,26,33,37-49,52-55,58-62,64-66H,2,7-8,10-13,17-22,24-25,27-30H2,1,3-6H3/b16-14+,31-9+,34-15+,35-23+
InChIKeyXZXZSKRRHGFIQS-YFHRIDBKSA-N
ChEBI Ontology
Outgoing Relation(s)
Prorocentrolide (CHEBI:138815) is a tetrahydropyridine (CHEBI:26921)
Manual XrefsDatabases
C20023KEGG COMPOUND