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CHEBI:223212 - Palmerolide D

ChEBI IDCHEBI:223212
ChEBI NamePalmerolide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H52N2O7
Net Charge0
Average Mass624.819
Monoisotopic Mass624.37745
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](OC(N)=O)[C@@H](O)/C=C/[C@@H](O)CCC/C=C/C(=O)O1
InChIInChI=1S/C36H52N2O7/c1-25(2)21-28(5)24-34(41)38-20-19-27(4)22-29(6)33-23-26(3)13-9-7-11-15-32(45-36(37)43)31(40)18-17-30(39)14-10-8-12-16-35(42)44-33/h7,9,12-13,16-20,22,24,29-33,39-40H,1,8,10-11,14-15,21,23H2,2-6H3,(H2,37,43)(H,38,41)/b9-7+,16-12+,18-17+,20-19+,26-13+,27-22+,28-24-/t29-,30+,31+,32+,33-/m1/s1
InChIKeyFCKRUGBQFSKMHB-GXWFBVLJSA-N
Species of MetaboliteComponentSourceComments
Candidatus Synoicihabitans palmerolidicus (ncbitaxon:2818510) - PubMed (35004620)
ChEBI Ontology
Outgoing Relation(s)
Palmerolide D (CHEBI:223212) is a macrolide (CHEBI:25106)
IUPAC Name 
[(2R,4E,6E,10S,11S,12E,14S,18E)-2-[(2R,3E,5E)-6-[[(2Z)-3,5-dimethylhexa-2,5-dienoyl]amino]-4-methylhexa-3,5-dien-2-yl]-11,14-dihydroxy-4-methyl-20-oxo-1-oxacycloicosa-4,6,12,18-tetraen-10-yl] carbamate
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