CHEBI:2697 - Anacrotine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Anacrotine
ChEBI ID CHEBI:2697
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H25NO6
Net Charge 0
Average Mass 351.395
Monoisotopic Mass 351.16819
InChI InChI=1S/C18H25NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-5-6-19-8-13(20)15(14(12)19)25-16(11)21/h4-5,10,13-15,20,23H,6-9H2,1-3H3/b11-4-/t10-,13-,14-,15-,18-/m1/s1
InChIKey NPYPUYCITBTPSF-TZCAYXSXSA-N
SMILES C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3C[C@@H](O)[C@@H](OC1=O)[C@@H]23
ChEBI Ontology
Outgoing Anacrotine (CHEBI:2697) is a macrolide (CHEBI:25106)
Synonym Source
Anacrotine KEGG COMPOUND
Manual Xrefs Databases
C00002078 KNApSAcK
C10277 KEGG COMPOUND
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Registry Number Type Source
5096-49-1 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014