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CHEBI:202886 - Speramide A

ChEBI IDCHEBI:202886
ChEBI NameSperamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H29N3O4
Net Charge0
Average Mass447.535
Monoisotopic Mass447.21581
SMILESCC1(C)C=Cc2cc3c(cc2O1)C(=O)[C@@]1(C[C@@]24NC(=O)[C@]5(CCCN5C2=O)C[C@H]4C1(C)C)N3
InChIInChI=1S/C26H29N3O4/c1-22(2)8-6-14-10-16-15(11-17(14)33-22)19(30)26(27-16)13-25-18(23(26,3)4)12-24(20(31)28-25)7-5-9-29(24)21(25)32/h6,8,10-11,18,27H,5,7,9,12-13H2,1-4H3,(H,28,31)/t18-,24-,25-,26+/m0/s1
InChIKeyVPZPMWLDKGSQNB-YCYYUTJKSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tetlet.2016.09.071)
ChEBI Ontology
Outgoing Relation(s)
Speramide A (CHEBI:202886) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(1'S,2S,7'S,9'S)-6,6,10',10'-tetramethylspiro[1H-pyrano[2,3-]indole-2,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2',3,14'-trione