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CHEBI:223199 - Palmerolide B

ChEBI IDCHEBI:223199
ChEBI NamePalmerolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H48N2O10S
Net Charge0
Average Mass664.818
Monoisotopic Mass664.30297
SMILESCC(C)=CC(=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/C33H48N2O10S/c1-23(2)20-31(37)35-19-18-25(4)21-26(5)30-22-24(3)12-8-6-9-13-27(45-46(40,41)42)16-17-28(36)29(44-33(34)39)14-10-7-11-15-32(38)43-30/h6,8,11-12,15-21,26-30,36H,7,9-10,13-14,22H2,1-5H3,(H2,34,39)(H,35,37)(H,40,41,42)/b8-6+,15-11+,17-16-,19-18+,24-12+,25-21+/t26-,27+,28-,29+,30-/m1/s1
InChIKeyFAWDDZFFIALADY-MNQAKPFUSA-N
Species of MetaboliteComponentSourceComments
Candidatus Synoicihabitans palmerolidicus (ncbitaxon:2818510) - PubMed (35004620)
ChEBI Ontology
Outgoing Relation(s)
Palmerolide B (CHEBI:223199) is a macrolide (CHEBI:25106)