CHEBI:3006 - Belladonnine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Belladonnine
ChEBI ID CHEBI:3006
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C34H42N2O4
Net Charge 0
Average Mass 542.710
Monoisotopic Mass 542.314
InChI InChI=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
InChIKey GERIGMSHTUAXSI-KZYONXTKSA-N
SMILES CN1C2CCC1C[C@H](C2)OC(=O)[C@H]1CC[C@](C(=O)O[C@H]2CC3CCC(C2)N3C)(c2ccccc2)c2ccccc12
ChEBI Ontology
Outgoing Belladonnine (CHEBI:3006) is a carbonyl compound (CHEBI:36586)
Belladonnine (CHEBI:3006) is a naphthalenes (CHEBI:25477)
Synonym Source
Belladonnine KEGG COMPOUND
Manual Xrefs Databases
C00002278 KNApSAcK
C10845 KEGG COMPOUND
View more database links
Registry Number Type Source
510-25-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014