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CHEBI:31256 - Bencyclane fumarate

ChEBI IDCHEBI:31256
ChEBI NameBencyclane fumarate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC19H31NO.C4H4O4
Net Charge0
Average Mass405.535
Monoisotopic Mass405.25152
SMILESCN(C)CCCOC1(Cc2ccccc2)CCCCCC1.O=C(O)/C=C/C(=O)O
InChIInChI=1S/C19H31NO.C4H4O4/c1-20(2)15-10-16-21-19(13-8-3-4-9-14-19)17-18-11-6-5-7-12-18;5-3(6)1-2-4(7)8/h5-7,11-12H,3-4,8-10,13-17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKeyLSTKNZAMFRGXCG-WLHGVMLRSA-N
ChEBI Ontology
Outgoing Relation(s)
Bencyclane fumarate (CHEBI:31256) is a benzenes (CHEBI:22712)
Synonym  Source
Bencyclane fumarateKEGG COMPOUND
Manual XrefsDatabases
D01197KEGG DRUG
Registry NumbersSources
CAS:14286-84-1KEGG COMPOUND