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CHEBI:223233 - Palmerolide H

ChEBI IDCHEBI:223233
ChEBI NamePalmerolide H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H52N2O10S
Net Charge0
Average Mass704.883
Monoisotopic Mass704.33427
SMILESC=C(C)C/C(C)=C\C(=O)N/C=C/C(C)=C/[C@@H](C)[C@H]1C/C(C)=C/C=C/CC[C@H](OS(=O)(=O)O)/C=C\[C@@H](O)[C@@H](OC(N)=O)CCC/C=C/C(=O)O1
InChIInChI=1S/C36H52N2O10S/c1-25(2)21-28(5)24-34(40)38-20-19-27(4)22-29(6)33-23-26(3)13-9-7-10-14-30(48-49(43,44)45)17-18-31(39)32(47-36(37)42)15-11-8-12-16-35(41)46-33/h7,9,12-13,16-20,22,24,29-33,39H,1,8,10-11,14-15,21,23H2,2-6H3,(H2,37,42)(H,38,40)(H,43,44,45)/b9-7+,16-12+,18-17-,20-19+,26-13+,27-22+,28-24-/t29-,30+,31-,32+,33-/m1/s1
InChIKeyVKRXGBUTDVKCIK-XTMPFRGYSA-N
Species of MetaboliteComponentSourceComments
Candidatus Synoicihabitans palmerolidicus (ncbitaxon:2818510) - PubMed (35004620)
ChEBI Ontology
Outgoing Relation(s)
Palmerolide H (CHEBI:223233) is a macrolide (CHEBI:25106)