CHEBI:31256 - Bencyclane fumarate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Bencyclane fumarate
ChEBI ID CHEBI:31256
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formulae C19H31NO.C4H4O4
C23H35NO5
Net Charge 0
Average Mass 405.529
Monoisotopic Mass 405.25152
InChI InChI=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+
InChIKey LSTKNZAMFRGXCG-WLHGVMLRSA-N
SMILES C(/C=C/C(O)=O)(O)=O.C1=CC=CC=C1CC2(OCCCN(C)C)CCCCCC2
ChEBI Ontology
Outgoing Bencyclane fumarate (CHEBI:31256) is a benzenes (CHEBI:22712)
Synonym Source
Bencyclane fumarate KEGG COMPOUND
Manual Xref Database
D01197 KEGG DRUG
View more database links
Registry Number Type Source
14286-84-1 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017