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CHEBI:203359 - LL-S490beta

ChEBI IDCHEBI:203359
ChEBI NameLL-S490beta
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H25N3O4
Net Charge0
Average Mass431.492
Monoisotopic Mass431.18451
SMILESC=CC(C)(C)[C@]12C[C@@H]3C(=O)Nc4ccccc4C(=O)N3[C@H]1N(OC(C)=O)c1ccccc12
InChIInChI=1S/C25H25N3O4/c1-5-24(3,4)25-14-20-21(30)26-18-12-8-6-10-16(18)22(31)27(20)23(25)28(32-15(2)29)19-13-9-7-11-17(19)25/h5-13,20,23H,1,14H2,2-4H3,(H,26,30)/t20-,23+,25+/m1/s1
InChIKeyXDIXJDWWYMCOML-PBXXJUDPSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (102032591)
ChEBI Ontology
Outgoing Relation(s)
LL-S490beta (CHEBI:203359) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
[(2S,10S,12R)-10-(2-methylbut-3-en-2-yl)-13,21-dioxo-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4,6,8,15,17,19-hexaen-3-yl] acetate
Manual XrefsDatabases
78437001ChemSpider