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CHEBI:204276 - Miuraenamide B

ChEBI IDCHEBI:204276
ChEBI NameMiuraenamide B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H42IN3O7
Net Charge0
Average Mass731.628
Monoisotopic Mass731.20675
SMILESCO/C(=C1/NC(=O)C(Cc2ccc(O)c(I)c2)N(C)C(=O)C(C)NC(=O)CCC/C=C(\C)CCC(C)OC1=O)c1ccccc1
InChIInChI=1S/C34H42IN3O7/c1-21-11-9-10-14-29(40)36-23(3)33(42)38(4)27(20-24-17-18-28(39)26(35)19-24)32(41)37-30(34(43)45-22(2)16-15-21)31(44-5)25-12-7-6-8-13-25/h6-8,11-13,17-19,22-23,27,39H,9-10,14-16,20H2,1-5H3,(H,36,40)(H,37,41)/b21-11+,31-30+
InChIKeyWCESITGHJAUCTK-SFHJFPFYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Miuraenamide B (CHEBI:204276) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3E,15E)-6-[(4-hydroxy-3-iodophenyl)methyl]-3-[methoxy(phenyl)methylidene]-7,9,16,19-tetramethyl-1-oxa-4,7,10-triazacyclononadec-15-ene-2,5,8,11-tetrone
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17239390ChemSpider