EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:210864 - Aspertoryadin D

ChEBI IDCHEBI:210864
ChEBI NameAspertoryadin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H30N4O6
Net Charge0
Average Mass530.581
Monoisotopic Mass530.21653
SMILESCC(=O)O[C@@H](c1nc2ccccc2c(=O)n1[C@H]1C[C@]2(OC1=O)c1ccccc1N1C(=O)C(C)(C)N[C@H]12)C(C)C
InChIInChI=1S/C29H30N4O6/c1-15(2)22(38-16(3)34)23-30-19-12-8-6-10-17(19)24(35)32(23)21-14-29(39-25(21)36)18-11-7-9-13-20(18)33-26(29)31-28(4,5)27(33)37/h6-13,15,21-22,26,31H,14H2,1-5H3/t21-,22+,26+,29-/m0/s1
InChIKeyIMOPNDYCCIZBPJ-HEMWWPFCSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (31823605)
ChEBI Ontology
Outgoing Relation(s)
Aspertoryadin D (CHEBI:210864) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
[(1R)-1-[3-[(3'S,3aR,4S)-2,2-dimethyl-1,2'-dioxospiro[3,3a-dihydroimidazo[1,2-a]indole-4,5'-oxolane]-3'-yl]-4-oxoquinazolin-2-yl]-2-methylpropyl] acetate
Manual XrefsDatabases
81360853ChemSpider