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CHEBI:211894 - Deoxynortryptoquivaline

ChEBI IDCHEBI:211894
ChEBI NameDeoxynortryptoquivaline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H28N4O6
Net Charge0
Average Mass516.554
Monoisotopic Mass516.20088
SMILESCC(=O)O[C@H](c1nc2ccccc2c(=O)n1[C@H]1C[C@@]2(OC1=O)c1ccccc1N1C(=O)C(C)N[C@@H]12)C(C)C
InChIInChI=1S/C28H28N4O6/c1-14(2)22(37-16(4)33)23-30-19-11-7-5-9-17(19)25(35)31(23)21-13-28(38-26(21)36)18-10-6-8-12-20(18)32-24(34)15(3)29-27(28)32/h5-12,14-15,21-22,27,29H,13H2,1-4H3/t15?,21-,22-,27-,28+/m0/s1
InChIKeyUQWRSTHNSHDTCA-BNOHXNBDSA-N
Species of MetaboliteComponentSourceComments
Aspergillus clavatus (ncbitaxon:5057) - PubMed (830860)
ChEBI Ontology
Outgoing Relation(s)
Deoxynortryptoquivaline (CHEBI:211894) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
[(1S)-1-[3-[(3'S,3aS,4R)-2-methyl-1,2'-dioxospiro[3,3a-dihydro-2H-imidazo[1,2-a]indole-4,5'-oxolane]-3'-yl]-4-oxoquinazolin-2-yl]-2-methylpropyl] acetate