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CHEBI:225798 - Teraspiridole C

ChEBI IDCHEBI:225798
ChEBI NameTeraspiridole C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H44N2O6
Net Charge0
Average Mass564.723
Monoisotopic Mass564.31994
SMILESCC(=O)O[C@H]1C[C@H]2C(C)(C)OC(=O)CC[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/C33H44N2O6/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/h8-11,18,22-25,28,34H,12-17H2,1-7H3/t18-,22+,23-,24+,25-,28-,30+,31-,32+,33-/m0/s1
InChIKeyZLBRGMMCUDDXLB-CPUMHDPCSA-N
Species of MetaboliteComponentSourceComments
Aspergillus terreus (ncbitaxon:33178) - PubMed (23924243)
ChEBI Ontology
Outgoing Relation(s)
Teraspiridole C (CHEBI:225798) is a naphthofuran (CHEBI:39270)
IUPAC Name 
[(1'R,2S,2'R,3aS,4S,8'R,10'S,11'R,12'S,16'S)-2,2',7',7',11',16'-hexamethyl-1,5'-dioxospiro[3,3a-dihydro-2H-imidazo[1,2-a]indole-4,14'-6,15-dioxatetracyclo[9.7.0.02,8.012,16]octadecane]-10'-yl] acetate
Manual XrefsDatabases
78440317ChemSpider