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CHEBI:2722 - Angularine

ChEBI IDCHEBI:2722
ChEBI NameAngularine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H25NO6
Net Charge0
Average Mass351.399
Monoisotopic Mass351.16819
SMILES[H][C@]12COC(=O)[C@](C)(O)C(=C)C/C(=C/C)C(=O)O[C@@H]3CCN(C[C@H]1O)[C@@]32[H]
InChIInChI=1S/C18H25NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-13(20)8-19-6-5-14(15(12)19)25-16(11)21/h4,12-15,20,23H,2,5-9H2,1,3H3/b11-4-/t12-,13+,14+,15+,18+/m0/s1
InChIKeyMCWACAVORNFEFS-HMNNQIDUSA-N
ChEBI Ontology
Outgoing Relation(s)
Angularine (CHEBI:2722) is a pyrrolizines (CHEBI:38522)
Synonym  Source
AngularineKEGG COMPOUND
Manual XrefsDatabases
C10279KEGG COMPOUND
C00002080KNApSAcK
Registry NumbersSources
CAS:1354-37-6KEGG COMPOUND