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CHEBI:8896 - Rosmarinine

ChEBI IDCHEBI:8896
ChEBI NameRosmarinine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H27NO6
Net Charge0
Average Mass353.415
Monoisotopic Mass353.18384
SMILES[H][C@@]12[C@H]3CCN1C[C@@H](O)[C@@H]2COC(=O)[C@](C)(O)[C@H](C)C/C(=C/C)C(=O)O3
InChIInChI=1S/C18H27NO6/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/h4,10,12-15,20,23H,5-9H2,1-3H3/b11-4-/t10-,12+,13-,14-,15-,18-/m1/s1
InChIKeyYEXVXKIMPBHRQR-VFQWDWSUSA-N
ChEBI Ontology
Outgoing Relation(s)
Rosmarinine (CHEBI:8896) is a macrolide (CHEBI:25106)
Synonyms  Source
RosmarinineKEGG COMPOUND
Senecionan-11,16-dione, 1,2-dihydro-2,12-dihydroxy-, (1alpha,2alpha)-KEGG COMPOUND
Manual XrefsDatabases
C10380KEGG COMPOUND
C00002112KNApSAcK
Registry NumbersSources
CAS:520-65-0KEGG COMPOUND