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CHEBI:210719 - JBIR-58

ChEBI IDCHEBI:210719
ChEBI NameJBIR-58
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H15NO7
Net Charge0
Average Mass309.274
Monoisotopic Mass309.08485
SMILESCO[C@H]1C[C@@H]2O[C@@H](C)C(=O)c3c(O)c(O)c(C(N)=O)c(c32)O1
InChIInChI=1S/C14H15NO7/c1-4-10(16)8-7-5(21-4)3-6(20-2)22-13(7)9(14(15)19)12(18)11(8)17/h4-6,17-18H,3H2,1-2H3,(H2,15,19)/t4-,5-,6+/m0/s1
InChIKeyHGXIVGMAXRFBFN-HCWXCVPCSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies SpD081030ME-02 (ncbitaxon:703626) - PubMed (20339397)
ChEBI Ontology
Outgoing Relation(s)
JBIR-58 (CHEBI:210719) is a benzenes (CHEBI:22712)
JBIR-58 (CHEBI:210719) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(3R,5S,7S)-10,11-dihydroxy-3-methoxy-7-methyl-8-oxo-2,6-dioxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-triene-12-carboxamide
Manual XrefsDatabases
27024910ChemSpider