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CHEBI:200100 - Wortmannine B

ChEBI IDCHEBI:200100
ChEBI NameWortmannine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25NO8
Net Charge0
Average Mass419.430
Monoisotopic Mass419.15802
SMILESCOC[C@H]1OC(=O)[C@@H]2[C@H](O)NC(=O)[C@@]23C(=O)C2=C([C@H](O)C[C@]4(C)C(=O)CC[C@@H]24)[C@@]13C
InChIInChI=1S/C21H25NO8/c1-19-6-9(23)13-12(8(19)4-5-10(19)24)15(25)21-14(16(26)22-18(21)28)17(27)30-11(7-29-3)20(13,21)2/h8-9,11,14,16,23,26H,4-7H2,1-3H3,(H,22,28)/t8-,9+,11+,14-,16-,19-,20+,21-/m0/s1
InChIKeyIHCIOJOFOVCRKX-RUWVKXHPSA-N
Species of MetaboliteComponentSourceComments
Talaromyces (ncbitaxon:5094) - DOI (10.1016/j.tetlet.2016.09.004)
ChEBI Ontology
Outgoing Relation(s)
Wortmannine B (CHEBI:200100) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(1S,4R,8S,10R,12R,13S,16S,17S)-10,17-dihydroxy-13-(methoxymethyl)-8,12-dimethyl-14-oxa-18-azapentacyclo[10.7.0.01,16.03,11.04,8]nonadec-3(11)-ene-2,7,15,19-tetrone
Manual XrefsDatabases
78440809ChemSpider