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CHEBI:219017 - Asperorydine M

ChEBI IDCHEBI:219017
ChEBI NameAsperorydine M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H23N3O4
Net Charge0
Average Mass381.432
Monoisotopic Mass381.16886
SMILESCC(=N)C1=C(O)[C@@H]2[C@@H]3[C@@H](Cc4cccc5c4[C@@]3(O)C(=O)N5C)C(C)(C)N2C1=O
InChIInChI=1S/C21H23N3O4/c1-9(22)13-17(25)16-15-11(20(2,3)24(16)18(13)26)8-10-6-5-7-12-14(10)21(15,28)19(27)23(12)4/h5-7,11,15-16,22,25,28H,8H2,1-4H3/t11-,15+,16+,21+/m1/s1
InChIKeyJIFOMGQJIOWIGX-HFRPNRNYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus oryzae (ncbitaxon:5062) - PubMed (29271645)
ChEBI Ontology
Outgoing Relation(s)
Asperorydine M (CHEBI:219017) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1R,2S,3S,9R)-5-ethanimidoyl-1,4-dihydroxy-8,8,16-trimethyl-7,16-diazapentacyclo[9.6.1.02,9.03,7.015,18]octadeca-4,11(18),12,14-tetraene-6,17-dione
Manual XrefsDatabases
78439487ChemSpider