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CHEBI:2697 - Anacrotine

ChEBI IDCHEBI:2697
ChEBI NameAnacrotine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H25NO6
Net Charge0
Average Mass351.399
Monoisotopic Mass351.16819
SMILES[H][C@]12C3=CCN1C[C@@H](O)[C@H]2OC(=O)/C(=C\C)C[C@@H](C)[C@@](C)(O)C(=O)OC3
InChIInChI=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
InChIKeyNPYPUYCITBTPSF-TZCAYXSXSA-N
ChEBI Ontology
Outgoing Relation(s)
Anacrotine (CHEBI:2697) is a macrolide (CHEBI:25106)
Synonym  Source
AnacrotineKEGG COMPOUND
Manual XrefsDatabases
C10277KEGG COMPOUND
C00002078KNApSAcK
Registry NumbersSources
CAS:5096-49-1KEGG COMPOUND