CHEBI:6627 - Macrophylline

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Macrophylline
ChEBI ID CHEBI:6627
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C13H21NO3
Net Charge 0
Average Mass 239.311
Monoisotopic Mass 239.15214
InChI InChI=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
InChIKey LVZCTOQMFLAKLI-CSZIUDOQSA-N
SMILES C\C=C(\C)C(=O)OC[C@H]1[C@@H](O)CN2CCC[C@H]12
ChEBI Ontology
Outgoing Macrophylline (CHEBI:6627) is a pyrrolizines (CHEBI:38522)
Synonym Source
Macrophylline KEGG COMPOUND
Manual Xrefs Databases
C00002100 KNApSAcK
C10348 KEGG COMPOUND
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Registry Number Type Source
27841-97-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014