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CHEBI:223342 - Paraherquamide K

ChEBI IDCHEBI:223342
ChEBI NameParaherquamide K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H33N3O4
Net Charge0
Average Mass475.589
Monoisotopic Mass475.24711
SMILESC[C@@H]1C[C@@]23C[C@H]4C(C)(C)[C@@]5(C[C@]4(CN2C1=O)N(C)C3=O)C(=O)Nc1c5ccc2c1C=CC(C)(C)O2
InChIInChI=1S/C28H33N3O4/c1-15-11-26-12-19-25(4,5)28(13-27(19,30(6)23(26)34)14-31(26)21(15)32)17-7-8-18-16(20(17)29-22(28)33)9-10-24(2,3)35-18/h7-10,15,19H,11-14H2,1-6H3,(H,29,33)/t15-,19+,26+,27-,28-/m1/s1
InChIKeyCCCBJAASKLBNPN-CJPPBLRISA-N
Species of MetaboliteComponentSourceComments
Aspergillus duricaulis (ncbitaxon:75552) - PubMed (26517152)
ChEBI Ontology
Outgoing Relation(s)
Paraherquamide K (CHEBI:223342) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(1'S,3R,5'R,7'R,9'S)-5',7,7,10',10',13'-hexamethylspiro[1H-pyrano[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,4',14'-trione
Manual XrefsDatabases
58919002ChemSpider