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CHEBI:223217 - Palmerolide E

ChEBI IDCHEBI:223217
ChEBI NamePalmerolide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H39NO7
Net Charge0
Average Mass489.609
Monoisotopic Mass489.27265
SMILESC/C(C=O)=C\[C@@H](C)[C@H]1C/C(C)=C/C=C/CC[C@H](OC(N)=O)[C@@H](O)/C=C/[C@@H](O)CCC/C=C/C(=O)O1
InChIInChI=1S/C27H39NO7/c1-19-10-6-4-8-12-24(35-27(28)33)23(31)15-14-22(30)11-7-5-9-13-26(32)34-25(17-19)21(3)16-20(2)18-29/h4,6,9-10,13-16,18,21-25,30-31H,5,7-8,11-12,17H2,1-3H3,(H2,28,33)/b6-4+,13-9+,15-14+,19-10+,20-16+/t21-,22+,23+,24+,25-/m1/s1
InChIKeyXKGDMUIDORFBTK-XWZBXYCWSA-N
Species of MetaboliteComponentSourceComments
Candidatus Synoicihabitans palmerolidicus (ncbitaxon:2818510) - PubMed (35004620)
ChEBI Ontology
Outgoing Relation(s)
Palmerolide E (CHEBI:223217) is a macrolide (CHEBI:25106)
IUPAC Name 
[(2R,4E,6E,10S,11S,12E,14S,18E)-11,14-dihydroxy-4-methyl-2-[(E,2R)-4-methyl-5-oxopent-3-en-2-yl]-20-oxo-1-oxacycloicosa-4,6,12,18-tetraen-10-yl] carbamate
Manual XrefsDatabases
27025769ChemSpider