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CHEBI:222283 - BU-4514N

ChEBI IDCHEBI:222283
ChEBI NameBU-4514N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42N2O5
Net Charge0
Average Mass474.642
Monoisotopic Mass474.30937
SMILESCC1=CC2CC(C)CCC2C(C)(C(O)=C2C(=O)CNC2=O)C1CC(C)O[C@H]1CC[C@H](N)C(C)O1
InChIInChI=1S/C27H42N2O5/c1-14-6-7-19-18(10-14)11-15(2)20(12-16(3)33-23-9-8-21(28)17(4)34-23)27(19,5)25(31)24-22(30)13-29-26(24)32/h11,14,16-21,23,31H,6-10,12-13,28H2,1-5H3,(H,29,32)/t14?,16?,17?,18?,19?,20?,21-,23+,27?/m0/s1
InChIKeyNKWRHFUPAYVQCE-KURWIIFQSA-N
Species of MetaboliteComponentSourceComments
Microtetraspora (ncbitaxon:1995) - PubMed (8344867)
ChEBI Ontology
Outgoing Relation(s)
BU-4514N (CHEBI:222283) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
3-[[2-[2-[(2R,5S)-5-amino-6-methyloxan-2-yl]oxypropyl]-1,3,6-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]pyrrolidine-2,4-dione
Manual XrefsDatabases
78445217ChemSpider