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CHEBI:211322 - Cladosporiumin B

ChEBI IDCHEBI:211322
ChEBI NameCladosporiumin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H27NO5
Net Charge0
Average Mass349.427
Monoisotopic Mass349.18892
SMILESCC(C)=C1NC(=O)[C@](C/C=C\CC(C)O)([C@@H]2CC(=O)O[C@H](C)C2)C1=O
InChIInChI=1S/C19H27NO5/c1-11(2)16-17(23)19(18(24)20-16,8-6-5-7-12(3)21)14-9-13(4)25-15(22)10-14/h5-6,12-14,21H,7-10H2,1-4H3,(H,20,24)/b6-5-/t12?,13-,14+,19-/m1/s1
InChIKeyIIYKLCYWWXLYAF-JLUWWWRBSA-N
Species of MetaboliteComponentSourceComments
Cladosporium (ncbitaxon:5498) - DOI (10.1016/j.tet.2018.04.010)
ChEBI Ontology
Outgoing Relation(s)
Cladosporiumin B (CHEBI:211322) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(3R)-3-[(Z)-5-hydroxyhex-2-enyl]-3-[(2R,4S)-2-methyl-6-oxooxan-4-yl]-5-propan-2-ylidenepyrrolidine-2,4-dione
Manual XrefsDatabases
65323328ChemSpider