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CHEBI:80050 - Lyngbyatoxin

ChEBI IDCHEBI:80050
ChEBI NameLyngbyatoxin
Stars
DownloadsMolfile
FormulaC27H39N3O2
Net Charge0
Average Mass437.628
Monoisotopic Mass437.30423
SMILESC=CC(C)(CCC=C(C)C)c1ccc2c3c(cnc13)CC(CO)NC(=O)C(C(C)C)N2C
InChIInChI=1S/C27H39N3O2/c1-8-27(6,13-9-10-17(2)3)21-11-12-22-23-19(15-28-24(21)23)14-20(16-31)29-26(32)25(18(4)5)30(22)7/h8,10-12,15,18,20,25,28,31H,1,9,13-14,16H2,2-7H3,(H,29,32)
InChIKeyKISDGNGREAJPQR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Lyngbyatoxin (CHEBI:80050) is a monoterpenoid (CHEBI:25409)
Manual XrefsDatabases
C15720KEGG COMPOUND
Registry NumbersSources
CAS:70497-14-2KEGG COMPOUND