CHEBI:206696 - Epoxyrosellichalasin

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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 Epoxyrosellichalasin
ChEBI ID CHEBI:206696
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H33NO6
Net Charge 0
Average Mass 479.573
Monoisotopic Mass 479.23079
InChI InChI=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
InChIKey ZYDFGQLETLUQKA-HHCPCTDWSA-N
SMILES O=C1C(=CCC(=O)O[C@@]23C(=O)N[C@H]([C@@H]2[C@H](C)[C@@]4([C@H]([C@@H]3[C@@H]5[C@@H](C[C@@H]1C)O5)O4)C)CC6=CC=CC=C6)C
Metabolite of Species Details
Xylaria (NCBI:txid37991) See: PubMed
ChEBI Ontology
Outgoing 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