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CHEBI:197739 - 16-deoxo-paraherquamide J

ChEBI IDCHEBI:197739
ChEBI Name16-deoxo-paraherquamide J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H35N3O4
Net Charge0
Average Mass477.605
Monoisotopic Mass477.26276
SMILESC[C@H]1CN2C[C@]34C[C@@]5(C(=O)Nc6c5ccc5c6OC=CC(C)(C)O5)C(C)(C)[C@@H]3C[C@@]2(C1)C(=O)N4C
InChIInChI=1S/C28H35N3O4/c1-16-11-26-12-19-25(4,5)28(14-27(19,15-31(26)13-16)30(6)23(26)33)17-7-8-18-21(20(17)29-22(28)32)34-10-9-24(2,3)35-18/h7-10,16,19H,11-15H2,1-6H3,(H,29,32)/t16-,19+,26+,27-,28-/m1/s1
InChIKeyUCHMXMCBFDOYNC-HTEKFMMOSA-N
Species of MetaboliteComponentSourceComments
Aspergillus duricaulis (ncbitaxon:75552) - PubMed (26517152)
ChEBI Ontology
Outgoing Relation(s)
16-deoxo-paraherquamide J (CHEBI:197739) is a azaspiro compound (CHEBI:35624)
IUPAC Name 
(1'S,5'R,7'S,8R,9'S)-4,4,5',10',10',13'-hexamethylspiro[10H-[1,4]dioxepino[2,3-g]indole-8,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-9,14'-dione
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58919005ChemSpider