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CHEBI:6627 - Macrophylline

ChEBI IDCHEBI:6627
ChEBI NameMacrophylline
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC13H21NO3
Net Charge0
Average Mass239.315
Monoisotopic Mass239.15214
SMILES[H][C@]12CCCN1C[C@H](O)[C@@H]2COC(=O)/C(C)=C\C
InChIInChI=1S/C13H21NO3/c1-3-9(2)13(16)17-8-10-11-5-4-6-14(11)7-12(10)15/h3,10-12,15H,4-8H2,1-2H3/b9-3-/t10-,11-,12+/m1/s1
InChIKeyLVZCTOQMFLAKLI-CSZIUDOQSA-N
ChEBI Ontology
Outgoing Relation(s)
Macrophylline (CHEBI:6627) is a pyrrolizines (CHEBI:38522)
Synonym  Source
MacrophyllineKEGG COMPOUND
Manual XrefsDatabases
C10348KEGG COMPOUND
C00002100KNApSAcK
Registry NumbersSources
CAS:27841-97-0KEGG COMPOUND