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CHEBI:206026 - Speramide B

ChEBI IDCHEBI:206026
ChEBI NameSperamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H31N3O5
Net Charge0
Average Mass465.550
Monoisotopic Mass465.22637
SMILESC=CC(C)(C)[C@@]12Nc3c(ccc4c3C=CC(C)(C)O4)[C@]1(O)C[C@H]1C(=O)N3CCC[C@@]3(O)C(=O)N12
InChIInChI=1S/C26H31N3O5/c1-6-22(2,3)26-24(32,14-17-20(30)28-13-7-11-25(28,33)21(31)29(17)26)16-8-9-18-15(19(16)27-26)10-12-23(4,5)34-18/h6,8-10,12,17,27,32-33H,1,7,11,13-14H2,2-5H3/t17-,24+,25+,26-/m0/s1
InChIKeyDMIIGSHOFYCWKW-WBSKELJPSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tetlet.2016.09.071)
ChEBI Ontology
Outgoing Relation(s)
Speramide B (CHEBI:206026) is a pyrroloindole (CHEBI:48133)
IUPAC Name 
(1R,13S,16R,22S)-1,16-dihydroxy-7,7-dimethyl-13-(2-methylbut-3-en-2-yl)-6-oxa-12,14,20-triazahexacyclo[11.10.0.02,11.05,10.014,22.016,20]tricosa-2(11),3,5(10),8-tetraene-15,21-dione
Manual XrefsDatabases
71048382ChemSpider