CHEBI:126 - (-)-alpha-Hydrastine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (-)-alpha-Hydrastine
ChEBI ID CHEBI:126
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H21NO6
Net Charge 0
Average Mass 383.395
Monoisotopic Mass 383.13689
InChI InChI=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
InChIKey JZUTXVTYJDCMDU-RTBURBONSA-N
SMILES COc1ccc2[C@@H](OC(=O)c2c1OC)C1N(C)CCc2cc3OCOc3cc12
ChEBI Ontology
Outgoing (-)-alpha-Hydrastine (CHEBI:126) is a isoquinolines (CHEBI:24922)
Synonym Source
(-)-alpha-Hydrastine KEGG COMPOUND
Manual Xrefs Databases
C00001867 KNApSAcK
C09462 KEGG COMPOUND
View more database links
Registry Number Type Source
4370-85-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014