CHEBI:2888 - Aspidospermatine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Aspidospermatine
ChEBI ID CHEBI:2888
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H26N2O2
Net Charge 0
Average Mass 338.444
Monoisotopic Mass 338.19943
InChI InChI=1S/C21H26N2O2/c1-4-15-14-8-10-22-11-9-21(20(15)22)16-6-5-7-17(25-3)19(16)23(13(2)24)18(21)12-14/h4-7,14,18,20H,8-12H2,1-3H3/b15-4+/t14-,18-,20-,21-/m1/s1
InChIKey CCNTUVFHVFQEJI-ULBRXFQASA-N
SMILES COc1cccc2c1N([C@@H]1C[C@H]3CCN4CC[C@@]21[C@H]4\C3=C\C)C(C)=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Aspidospermatine (CHEBI:2888) is a alkaloid (CHEBI:22315)
Synonym Source
Aspidospermatine KEGG COMPOUND
Manual Xref Database
C09041 KEGG COMPOUND
View more database links
Registry Number Type Source
5794-14-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014