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CHEBI:227412 - Cycloexpansamine A

ChEBI IDCHEBI:227412
ChEBI NameCycloexpansamine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H31N3O4
Net Charge0
Average Mass449.551
Monoisotopic Mass449.23146
SMILESCC1(C)CC(=O)c2c(O)ccc3c2N1C(=O)[C@]31C[C@@]23CN4CCC[C@]4(C[C@@H]2C1(C)C)C(=O)N3
InChIInChI=1S/C26H31N3O4/c1-22(2)10-16(31)18-15(30)7-6-14-19(18)29(22)21(33)26(14)12-24-13-28-9-5-8-25(28,20(32)27-24)11-17(24)23(26,3)4/h6-7,17,30H,5,8-13H2,1-4H3,(H,27,32)/t17-,24-,25+,26+/m1/s1
InChIKeyDVEFLSQGFWNEPE-PRFMUHPXSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (25966848)
ChEBI Ontology
Outgoing Relation(s)
Cycloexpansamine A (CHEBI:227412) is a amino acid amide (CHEBI:22475)
IUPAC Name 
(1'S,3S,7'S,9'R)-7-hydroxy-10',10',11,11-tetramethylspiro[1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,9,14'-trione
Manual XrefsDatabases
44210842ChemSpider