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CHEBI:219919 - Paenimacrolidin

ChEBI IDCHEBI:219919
ChEBI NamePaenimacrolidin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H50O6
Net Charge0
Average Mass542.757
Monoisotopic Mass542.36074
SMILESC=CC/C=C\C=C(C)\C=C\C1OC(=O)CC(O)CC(O)/C=C/CC(O)CC(C)CC(O)C/C=C/C/C=C\C1C
InChIInChI=1S/C33H50O6/c1-5-6-7-10-14-25(2)19-20-32-27(4)15-11-8-9-12-16-28(34)21-26(3)22-29(35)17-13-18-30(36)23-31(37)24-33(38)39-32/h5,7,9-15,18-20,26-32,34-37H,1,6,8,16-17,21-24H2,2-4H3/b10-7-,12-9+,15-11-,18-13+,20-19+,25-14+
InChIKeyUAMWSMPMWGFABN-KQJPUOQGSA-N
Species of MetaboliteComponentSourceComments
Paenibacillus (ncbitaxon:44249) - PubMed (21375709)
ChEBI Ontology
Outgoing Relation(s)
Paenimacrolidin (CHEBI:219919) is a macrolide (CHEBI:25106)
IUPAC Name 
(7E,16E,19Z)-4,6,10,14-tetrahydroxy-12,21-dimethyl-22-[(1E,3E,5Z)-3-methylnona-1,3,5,8-tetraenyl]-1-oxacyclodocosa-7,16,19-trien-2-one
Manual XrefsDatabases
78444902ChemSpider