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CHEBI:223203 - Wortmannine B1

ChEBI IDCHEBI:223203
ChEBI NameWortmannine B1
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H33NO9
Net Charge0
Average Mass503.548
Monoisotopic Mass503.21553
SMILESCCC(C)C(=O)O[C@@H]1C[C@]2(C)C(=O)CC[C@H]2C2=C1[C@@]1(C)[C@@H](COC)OC(=O)[C@@H]3[C@H](O)NC(=O)[C@@]31C2=O
InChIInChI=1S/C26H33NO9/c1-6-11(2)21(31)35-13-9-24(3)12(7-8-14(24)28)16-17(13)25(4)15(10-34-5)36-22(32)18-20(30)27-23(33)26(18,25)19(16)29/h11-13,15,18,20,30H,6-10H2,1-5H3,(H,27,33)/t11?,12-,13+,15+,18-,20-,24-,25+,26-/m0/s1
InChIKeyLKNMHLJFHMISCU-KHLIWMGVSA-N
Species of MetaboliteComponentSourceComments
Niesslia (ncbitaxon:267679) - PubMed (30844268)
ChEBI Ontology
Outgoing Relation(s)
Wortmannine B1 (CHEBI:223203) is a δ-lactone (CHEBI:18946)
IUPAC Name 
[(1S,4R,8S,10R,12R,13S,16S,17S)-17-hydroxy-13-(methoxymethyl)-8,12-dimethyl-2,7,15,19-tetraoxo-14-oxa-18-azapentacyclo[10.7.0.01,16.03,11.04,8]nonadec-3(11)-en-10-yl] 2-methylbutanoate
Manual XrefsDatabases
128437098ChemSpider