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CHEBI:8914 - Ruscopine

ChEBI IDCHEBI:8914
ChEBI NameRuscopine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H26N4O2
Net Charge0
Average Mass306.410
Monoisotopic Mass306.20558
SMILESCOc1ccc(CCC(CCCNC=N)NC=N)cc1OC
InChIInChI=1S/C16H26N4O2/c1-21-15-8-6-13(10-16(15)22-2)5-7-14(20-12-18)4-3-9-19-11-17/h6,8,10-12,14H,3-5,7,9H2,1-2H3,(H2,17,19)(H2,18,20)
InChIKeyJVNVHIPXYJPRRV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ruscopine (CHEBI:8914) is a amine (CHEBI:32952)
Synonym  Source
RuscopineKEGG COMPOUND
Manual XrefsDatabases
C08510KEGG COMPOUND
C00001553KNApSAcK
Registry NumbersSources
CAS:3912-65-0KEGG COMPOUND