CHEBI:3366 - Capaurine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Capaurine
ChEBI ID CHEBI:3366
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H25NO5
Net Charge 0
Average Mass 371.428
Monoisotopic Mass 371.17327
InChI InChI=1S/C21H25NO5/c1-24-16-6-5-12-9-15-18-13(10-17(25-2)21(27-4)19(18)23)7-8-22(15)11-14(12)20(16)26-3/h5-6,10,15,23H,7-9,11H2,1-4H3/t15-/m0/s1
InChIKey GSPIMPLJQOCBFY-HNNXBMFYSA-N
SMILES COc1ccc2C[C@@H]3N(CCc4cc(OC)c(OC)c(O)c34)Cc2c1OC
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 Capaurine (CHEBI:3366) is a alkaloid (CHEBI:22315)
Synonym Source
Capaurine KEGG COMPOUND
Manual Xrefs Databases
C00001829 KNApSAcK
C09371 KEGG COMPOUND
View more database links
Registry Number Type Source
478-14-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014