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CHEBI:205471 - Teraspiridole A

ChEBI IDCHEBI:205471
ChEBI NameTeraspiridole A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H42N2O6
Net Charge0
Average Mass562.707
Monoisotopic Mass562.30429
SMILESCC(=O)O[C@H]1C[C@H]2C(C)(C)OC(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)O[C@@]4(C[C@H]3[C@]12C)c1ccccc1N1C(=O)[C@H](C)N[C@@H]14
InChIInChI=1S/C33H42N2O6/c1-18-27(38)35-21-11-9-8-10-20(21)33(28(35)34-18)17-24-31(6,41-33)15-12-22-30(5)14-13-26(37)40-29(3,4)23(30)16-25(32(22,24)7)39-19(2)36/h8-11,13-14,18,22-25,28,34H,12,15-17H2,1-7H3/t18-,22+,23-,24+,25-,28-,30+,31-,32+,33-/m0/s1
InChIKeyVMDRKPOWEASMAD-CPUMHDPCSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (23924243)
ChEBI Ontology
Outgoing Relation(s)
Teraspiridole A (CHEBI:205471) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(2S,2'S,3aS,3'aS,3bR,4S,5aR,10aR,10bR,12aS)-2',3b,6,6,10a,12a-hexamethyl-1',8-dioxospiro[3,3a,4,5,5a,10b,11,12-octahydro-[1]benzouro[5,4-g][2]benzoxepine-2,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-4-yl] acetate
Manual XrefsDatabases
29784910ChemSpider