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CHEBI:227303 - Peniciherquamide A

ChEBI IDCHEBI:227303
ChEBI NamePeniciherquamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33N3O4
Net Charge0
Average Mass463.578
Monoisotopic Mass463.24711
SMILESC[C@H]1CCN2C[C@]34C[C@@]5(C(=O)Nc6c5ccc5c6C(=O)CC(C)(C)O5)C(C)(C)[C@@H]3C[C@]12C(=O)N4
InChIInChI=1S/C27H33N3O4/c1-14-8-9-30-13-25-12-26(24(4,5)18(25)11-27(14,30)22(33)29-25)15-6-7-17-19(20(15)28-21(26)32)16(31)10-23(2,3)34-17/h6-7,14,18H,8-13H2,1-5H3,(H,28,32)(H,29,33)/t14-,18-,25+,26+,27+/m0/s1
InChIKeyQHKDAOMEFDLNBK-VXSVNRBSSA-N
Species of MetaboliteComponentSourceComments
Penicillium herquei (ncbitaxon:69774) - PubMed (26848504)
ChEBI Ontology
Outgoing Relation(s)
Peniciherquamide A (CHEBI:227303) is a amino acid amide (CHEBI:22475)
IUPAC Name 
(1'S,3R,6'S,7'R,9'S)-6',7,7,10',10'-pentamethylspiro[1,8-dihydropyrano[2,3-g]indole-3,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-2,9,14'-trione
Manual XrefsDatabases
58923297ChemSpider