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CHEBI:210869 - Aspertoryadin E

ChEBI IDCHEBI:210869
ChEBI NameAspertoryadin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC30H32N4O7
Net Charge0
Average Mass560.607
Monoisotopic Mass560.22710
SMILESCCC(=O)O[C@H](c1nc2ccccc2c(=O)n1[C@@H]1C[C@]2(OC1=O)c1ccccc1N1C(=O)C(C)(C)N(O)[C@H]12)C(C)C
InChIInChI=1S/C30H32N4O7/c1-6-22(35)40-23(16(2)3)24-31-19-13-9-7-11-17(19)25(36)32(24)21-15-30(41-26(21)37)18-12-8-10-14-20(18)33-27(30)34(39)29(4,5)28(33)38/h7-14,16,21,23,27,39H,6,15H2,1-5H3/t21-,23+,27+,30+/m1/s1
InChIKeyQLMLLQIEYCAMIR-UYPWXTQMSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31823605)
ChEBI Ontology
Outgoing Relation(s)
Aspertoryadin E (CHEBI:210869) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
[(1S)-1-[3-[(3'R,3aS,4S)-3-hydroxy-2,2-dimethyl-1,2'-dioxospiro[3aH-imidazo[1,2-a]indole-4,5'-oxolane]-3'-yl]-4-oxoquinazolin-2-yl]-2-methylpropyl] propanoate
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