CHEBI:5191 - Fumaricine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Fumaricine
ChEBI ID CHEBI:5191
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H23NO5
Net Charge 0
Average Mass 369.412
Monoisotopic Mass 369.15762
InChI InChI=1S/C21H23NO5/c1-22-7-6-12-8-16(24-2)17(25-3)9-14(12)21(22)10-13-4-5-15-19(27-11-26-15)18(13)20(21)23/h4-5,8-9,20,23H,6-7,10-11H2,1-3H3/t20-,21+/m0/s1
InChIKey QDNMFIYGVRUVCE-LEWJYISDSA-N
SMILES COc1cc2CCN(C)[C@]3(Cc4ccc5OCOc5c4[C@@H]3O)c2cc1OC
ChEBI Ontology
Outgoing Fumaricine (CHEBI:5191) is a isoquinolines (CHEBI:24922)
Synonym Source
Fumaricine KEGG COMPOUND
Manual Xrefs Databases
C00001859 KNApSAcK
C09444 KEGG COMPOUND
View more database links
Registry Number Type Source
24181-77-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014