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CHEBI:209738 - JBIR-101

ChEBI IDCHEBI:209738
ChEBI NameJBIR-101
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O16
Net Charge0
Average Mass524.428
Monoisotopic Mass524.13773
SMILESO=C1CCC(=O)O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)CCC(=O)O[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO1)O[C@@H]3O)O[C@@H]2O
InChIInChI=1S/C20H28O16/c21-9-1-3-11(23)35-17-15(27)14(26)8(34-19(17)29)6-32-10(22)2-4-12(24)36-18-16(28)13(25)7(5-31-9)33-20(18)30/h7-8,13-20,25-30H,1-6H2/t7-,8-,13-,14-,15+,16+,17-,18-,19+,20+/m1/s1
InChIKeyOMSIYKJUGUSRKO-PFECAXNHSA-N
Species of MetaboliteComponentSourceComments
Promicromonospora (ncbitaxon:43676) - PubMed (21811266)
ChEBI Ontology
Outgoing Relation(s)
JBIR-101 (CHEBI:209738) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,9R,11S,12R,20R,22S,23S,24S,25S,26S)-11,22,23,24,25,26-hexahydroxy-2,7,10,13,18,21-hexaoxatricyclo[18.2.2.29,12]hexacosane-3,6,14,17-tetrone
Manual XrefsDatabases
28289259ChemSpider