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CHEBI:224941 - Spiroscytalin

ChEBI IDCHEBI:224941
ChEBI NameSpiroscytalin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H27NO2
Net Charge0
Average Mass337.463
Monoisotopic Mass337.20418
SMILESC[C@H]1CCC[C@@H]2C=C[C@H](C)[C@]3(C(=O)N[C@H](Cc4ccccc4)C3=O)[C@H]12
InChIInChI=1S/C22H27NO2/c1-14-7-6-10-17-12-11-15(2)22(19(14)17)20(24)18(23-21(22)25)13-16-8-4-3-5-9-16/h3-5,8-9,11-12,14-15,17-19H,6-7,10,13H2,1-2H3,(H,23,25)/t14-,15-,17+,18+,19+,22-/m0/s1
InChIKeyZUCYLMDAXHXTEP-BWGSOXPZSA-N
Species of MetaboliteComponentSourceComments
Scytalidium (ncbitaxon:5538) - PubMed (26525642)
ChEBI Ontology
Outgoing Relation(s)
Spiroscytalin (CHEBI:224941) is a benzenes (CHEBI:22712)
IUPAC Name 
(4S,4aR,5S,5'R,6S,8aR)-5'-benzyl-4,6-dimethylspiro[2,3,4,4a,6,8a-hexahydro-1H-naphthalene-5,3'-pyrrolidine]-2',4'-dione
Manual XrefsDatabases
78440432ChemSpider