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CHEBI:210845 - Aspertoryadin A

ChEBI IDCHEBI:210845
ChEBI NameAspertoryadin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H30N4O7S
Net Charge0
Average Mass566.636
Monoisotopic Mass566.18352
SMILESCC(C)[C@H](O)c1nc2ccccc2c(=O)n1[C@H]1C[C@]2(OC1=O)c1ccccc1N1C(=O)C(C)(C)N(S(C)(=O)=O)[C@H]12
InChIInChI=1S/C28H30N4O7S/c1-15(2)21(33)22-29-18-12-8-6-10-16(18)23(34)30(22)20-14-28(39-24(20)35)17-11-7-9-13-19(17)31-25(28)32(40(5,37)38)27(3,4)26(31)36/h6-13,15,20-21,25,33H,14H2,1-5H3/t20-,21-,25-,28-/m0/s1
InChIKeyPKMXBZQZEWJRBV-TVBSLCFISA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31823605)
ChEBI Ontology
Outgoing Relation(s)
Aspertoryadin A (CHEBI:210845) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
(3'S,3aS,4S)-3'-[2-[(1S)-1-hydroxy-2-methylpropyl]-4-oxoquinazolin-3-yl]-2,2-dimethyl-3-methylsulonylspiro[3aH-imidazo[1,2-a]indole-4,5'-oxolane]-1,2'-dione
Manual XrefsDatabases
81360850ChemSpider