EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207724 - Speradine A

ChEBI IDCHEBI:207724
ChEBI NameSperadine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22N2O4
Net Charge0
Average Mass366.417
Monoisotopic Mass366.15796
SMILESCC(=O)C1=C(O)[C@@H]2[C@H]3[C@@H]4C(=O)N(C)c5cccc(c54)C[C@H]3C(C)(C)N2C1=O
InChIInChI=1S/C21H22N2O4/c1-9(24)13-18(25)17-15-11(21(2,3)23(17)20(13)27)8-10-6-5-7-12-14(10)16(15)19(26)22(12)4/h5-7,11,15-17,25H,8H2,1-4H3/t11-,15-,16-,17+/m1/s1
InChIKeyAFKWDZPLWYIREO-AHBIMHKDSA-N
Species of MetaboliteComponentSourceComments
Aspergillus tamarii (ncbitaxon:41984) - DOI (10.1016/s0040-4020(03)00413-7)
ChEBI Ontology
Outgoing Relation(s)
Speradine A (CHEBI:207724) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1S,2R,3S,9R)-5-acetyl-4-hydroxy-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
78442758ChemSpider