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CHEBI:202426 - Nortryptoquivaline

ChEBI IDCHEBI:202426
ChEBI NameNortryptoquivaline
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H28N4O7
Net Charge0
Average Mass532.553
Monoisotopic Mass532.19580
SMILESCC(=O)O[C@H](c1nc2ccccc2c(=O)n1[C@H]1C[C@@]2(OC1=O)c1ccccc1N1C(=O)C(C)N(O)[C@@H]12)C(C)C
InChIInChI=1S/C28H28N4O7/c1-14(2)22(38-16(4)33)23-29-19-11-7-5-9-17(19)25(35)30(23)21-13-28(39-26(21)36)18-10-6-8-12-20(18)31-24(34)15(3)32(37)27(28)31/h5-12,14-15,21-22,27,37H,13H2,1-4H3/t15?,21-,22-,27+,28+/m0/s1
InChIKeyHHNRKSWQUGTUBV-XFJOCSKPSA-N
Species of MetaboliteComponentSourceComments
Aspergillus clavatus (ncbitaxon:5057) - PubMed (830860)
ChEBI Ontology
Outgoing Relation(s)
Nortryptoquivaline (CHEBI:202426) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
[(1S)-1-[3-[(3'S,3aR,4R)-3-hydroxy-2-methyl-1,2'-dioxospiro[2,3a-dihydroimidazo[1,2-a]indole-4,5'-oxolane]-3'-yl]-4-oxoquinazolin-2-yl]-2-methylpropyl] acetate