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CHEBI:205735 - Iqalisetin B

ChEBI IDCHEBI:205735
ChEBI NameIqalisetin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H21NO5
Net Charge0
Average Mass319.357
Monoisotopic Mass319.14197
SMILESC[C@@H]1NC(=O)/C(=C(\O)[C@H]2[C@@H]3C[C@H](O)C(=O)C[C@H]3C=C[C@H]2C)C1=O
InChIInChI=1S/C17H21NO5/c1-7-3-4-9-5-11(19)12(20)6-10(9)13(7)16(22)14-15(21)8(2)18-17(14)23/h3-4,7-10,12-13,20,22H,5-6H2,1-2H3,(H,18,23)/b16-14-/t7-,8+,9-,10-,12+,13-/m1/s1
InChIKeyQESOYLZLBJPMRG-CPZDRMBDSA-N
Species of MetaboliteComponentSourceComments
Tolypocladiumspecies (ncbitaxon:1856741) - DOI (10.1139/cjc-2015-0439)
ChEBI Ontology
Outgoing Relation(s)
Iqalisetin B (CHEBI:205735) is a pyrrolidinone (CHEBI:38275)
IUPAC Name 
(3Z,5S)-3-[[(1R,2R,4aS,7S,8aR)-7-hydroxy-2-methyl-6-oxo-2,4a,5,7,8,8a-hexahydro-1H-naphthalen-1-yl]-hydroxymethylidene]-5-methylpyrrolidine-2,4-dione
Manual XrefsDatabases
58197033ChemSpider