CHEBI:223222 - Wortmannine B4

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Wortmannine B4
ChEBI ID CHEBI:223222
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H31NO9
Net Charge 0
Average Mass 489.521
Monoisotopic Mass 489.19988
InChI InChI=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
InChIKey QLBVXPPJNPNFMF-AQVWAYKISA-N
SMILES O=C1O[C@@H]([C@@]2(C=3[C@H](OC(=O)C(C)C)C[C@]4([C@H](C3C([C@@]52[C@H]1[C@@H](O)NC5=O)=O)CCC4=O)C)C)COC
Metabolite of Species Details
Niesslia (NCBI:txid267679) See: PubMed
ChEBI Ontology
Outgoing 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