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CHEBI:126 - (-)-alpha-Hydrastine

ChEBI IDCHEBI:126
ChEBI Name(-)-alpha-Hydrastine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H21NO6
Net Charge0
Average Mass383.400
Monoisotopic Mass383.13689
SMILES[H][C@]1([C@]2([H])OC(=O)c3c2ccc(OC)c3OC)c2cc3c(cc2CCN1C)OCO3
InChIInChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19-/m1/s1
InChIKeyJZUTXVTYJDCMDU-RTBURBONSA-N
ChEBI Ontology
Outgoing Relation(s)
(-)-alpha-Hydrastine (CHEBI:126) is a isoquinolines (CHEBI:24922)
Synonym  Source
(-)-alpha-HydrastineKEGG COMPOUND
Manual XrefsDatabases
C09462KEGG COMPOUND
C00001867KNApSAcK
Registry NumbersSources
CAS:4370-85-8KEGG COMPOUND