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CHEBI:5191 - Fumaricine

ChEBI IDCHEBI:5191
ChEBI NameFumaricine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H23NO5
Net Charge0
Average Mass369.417
Monoisotopic Mass369.15762
SMILESCOc1cc2c(cc1OC)[C@@]1(Cc3ccc4c(c3[C@@H]1O)OCO4)N(C)CC2
InChIInChI=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
InChIKeyQDNMFIYGVRUVCE-LEWJYISDSA-N
ChEBI Ontology
Outgoing Relation(s)
Fumaricine (CHEBI:5191) is a isoquinolines (CHEBI:24922)
Synonym  Source
FumaricineKEGG COMPOUND
Manual XrefsDatabases
C09444KEGG COMPOUND
C00001859KNApSAcK
Registry NumbersSources
CAS:24181-77-9KEGG COMPOUND