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CHEBI:3006 - Belladonnine

ChEBI IDCHEBI:3006
ChEBI NameBelladonnine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC34H42N2O4
Net Charge0
Average Mass542.720
Monoisotopic Mass542.31446
SMILESCN1C2CCC1CC(OC(=O)[C@H]1CC[C@](C(=O)OC3CC4CCC(C3)N4C)(c3ccccc3)c3ccccc31)C2
InChIInChI=1S/C34H42N2O4/c1-35-23-12-13-24(35)19-27(18-23)39-32(37)30-16-17-34(22-8-4-3-5-9-22,31-11-7-6-10-29(30)31)33(38)40-28-20-25-14-15-26(21-28)36(25)2/h3-11,23-28,30H,12-21H2,1-2H3/t23?,24?,25?,26?,27?,28?,30-,34-/m0/s1
InChIKeyGERIGMSHTUAXSI-KZYONXTKSA-N
ChEBI Ontology
Outgoing Relation(s)
Belladonnine (CHEBI:3006) is a carbonyl compound (CHEBI:36586)
Belladonnine (CHEBI:3006) is a naphthalenes (CHEBI:25477)
Synonym  Source
BelladonnineKEGG COMPOUND
Manual XrefsDatabases
C10845KEGG COMPOUND
C00002278KNApSAcK
Registry NumbersSources
CAS:510-25-8KEGG COMPOUND