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CHEBI:224826 - 29-N-demethylparaherquamide J

ChEBI IDCHEBI:224826
ChEBI Name29-N-demethylparaherquamide J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31N3O5
Net Charge0
Average Mass477.561
Monoisotopic Mass477.22637
SMILESC[C@@H]1C[C@@]23C[C@H]4C(C)(C)[C@@]5(C[C@]4(CN2C1=O)NC3=O)C(=O)Nc1c5ccc2c1OC=CC(C)(C)O2
InChIInChI=1S/C27H31N3O5/c1-14-10-26-11-17-24(4,5)27(12-25(17,29-21(26)32)13-30(26)20(14)31)15-6-7-16-19(18(15)28-22(27)33)34-9-8-23(2,3)35-16/h6-9,14,17H,10-13H2,1-5H3,(H,28,33)(H,29,32)/t14-,17+,25-,26+,27-/m1/s1
InChIKeyPEVZJUJQPWJAGG-PVKOJMPMSA-N
Species of MetaboliteComponentSourceComments
Aspergillus duricaulis (ncbitaxon:75552) - PubMed (26517152)
ChEBI Ontology
Outgoing Relation(s)
29-N-demethylparaherquamide J (CHEBI:224826) is a azaspiro compound (CHEBI:35624)
IUPAC Name 
(1'S,5'R,7'R,8R,9'S)-4,4,5',10',10'-pentamethylspiro[10H-[1,4]dioxepino[2,3-g]indole-8,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-4',9,14'-trione
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58919003ChemSpider