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CHEBI:208755 - Xylarisin B

ChEBI IDCHEBI:208755
ChEBI NameXylarisin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H35NO5
Net Charge0
Average Mass405.535
Monoisotopic Mass405.25152
SMILESCO[C@H]1CCC[C@@H](O)/C=C/[C@H]2[C@@H]3O[C@@H]3[C@@H](C)[C@H]3[C@H](CC(C)C)NC(=O)[C@]32C(=O)C1
InChIInChI=1S/C23H35NO5/c1-12(2)10-17-19-13(3)20-21(29-20)16-9-8-14(25)6-5-7-15(28-4)11-18(26)23(16,19)22(27)24-17/h8-9,12-17,19-21,25H,5-7,10-11H2,1-4H3,(H,24,27)/b9-8+/t13-,14+,15-,16-,17-,19-,20+,21-,23+/m0/s1
InChIKeyJHZOEIVOCOKXDE-UDCRJHKYSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (30415573)
ChEBI Ontology
Outgoing Relation(s)
Xylarisin B (CHEBI:208755) is a isoindoles (CHEBI:24897)
IUPAC Name 
(1R,4S,8R,9E,11R,12S,14R,15S,16R,17S)-8-hydroxy-4-methoxy-15-methyl-17-(2-methylpropyl)-13-oxa-18-azatetracyclo[9.8.0.01,16.012,14]nonadec-9-ene-2,19-dione
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71117695ChemSpider