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CHEBI:223222 - Wortmannine B4

ChEBI IDCHEBI:223222
ChEBI NameWortmannine B4
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H31NO9
Net Charge0
Average Mass489.521
Monoisotopic Mass489.19988
SMILESCOC[C@H]1OC(=O)[C@@H]2[C@@H](O)NC(=O)[C@@]23C(=O)C2=C([C@H](OC(=O)C(C)C)C[C@]4(C)C(=O)CC[C@@H]24)[C@@]13C
InChIInChI=1S/C25H31NO9/c1-10(2)20(30)34-12-8-23(3)11(6-7-13(23)27)15-16(12)24(4)14(9-33-5)35-21(31)17-19(29)26-22(32)25(17,24)18(15)28/h10-12,14,17,19,29H,6-9H2,1-5H3,(H,26,32)/t11-,12+,14+,17-,19+,23-,24+,25-/m0/s1
InChIKeyQLBVXPPJNPNFMF-AQVWAYKISA-N
Species of MetaboliteComponentSourceComments
Niesslia (ncbitaxon:267679) - PubMed (30844268)
ChEBI Ontology
Outgoing Relation(s)
Wortmannine B4 (CHEBI:223222) is a δ-lactone (CHEBI:18946)
IUPAC Name 
[(1S,4R,8S,10R,12R,13S,16S,17R)-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-methylpropanoate