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CHEBI:206696 - Epoxyrosellichalasin

ChEBI IDCHEBI:206696
ChEBI NameEpoxyrosellichalasin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H33NO6
Net Charge0
Average Mass479.573
Monoisotopic Mass479.23079
SMILESC/C1=C\CC(=O)O[C@@]23C(=O)N[C@@H](Cc4ccccc4)[C@@H]2[C@H](C)[C@@]2(C)O[C@H]2[C@@H]3[C@H]2O[C@@H]2C[C@H](C)C1=O
InChIInChI=1S/C28H33NO6/c1-14-10-11-20(30)34-28-21(18(29-26(28)32)13-17-8-6-5-7-9-17)16(3)27(4)25(35-27)22(28)24-19(33-24)12-15(2)23(14)31/h5-10,15-16,18-19,21-22,24-25H,11-13H2,1-4H3,(H,29,32)/b14-10+/t15-,16-,18-,19+,21-,22-,24-,25-,27+,28-/m0/s1
InChIKeyZYDFGQLETLUQKA-HHCPCTDWSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (30875204)
ChEBI Ontology
Outgoing Relation(s)
Epoxyrosellichalasin (CHEBI:206696) is a lactam (CHEBI:24995)
Epoxyrosellichalasin (CHEBI:206696) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,5E,8S,10R,12R,13S,14S,16R,17S,18S,19S)-19-benzyl-6,8,16,17-tetramethyl-2,11,15-trioxa-20-azapentacyclo[11.8.0.01,18.010,12.014,16]henicos-5-ene-3,7,21-trione