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CHEBI:210850 - Aspertoryadin B

ChEBI IDCHEBI:210850
ChEBI NameAspertoryadin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28N4O6
Net Charge0
Average Mass504.543
Monoisotopic Mass504.20088
SMILESCC(C)[C@H](O)c1nc2ccccc2c(=O)n1[C@H]1C[C@]2(OC1=O)c1ccccc1N1C(=O)C(C)(C)N(O)[C@H]12
InChIInChI=1S/C27H28N4O6/c1-14(2)20(32)21-28-17-11-7-5-9-15(17)22(33)29(21)19-13-27(37-23(19)34)16-10-6-8-12-18(16)30-24(27)31(36)26(3,4)25(30)35/h5-12,14,19-20,24,32,36H,13H2,1-4H3/t19-,20-,24-,27-/m0/s1
InChIKeyUWJPYPZTQNRUNI-VLGCMETKSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31823605)
ChEBI Ontology
Outgoing Relation(s)
Aspertoryadin B (CHEBI:210850) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
(3'S,3aS,4S)-3-hydroxy-3'-[2-[(1S)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]-2,2-dimethylspiro[3aH-imidazo[1,2-a]indole-4,5'-oxolane]-1,2'-dione
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81360851ChemSpider