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CHEBI:227499 - Divergolide N

ChEBI IDCHEBI:227499
ChEBI NameDivergolide N
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H23NO7
Net Charge0
Average Mass413.426
Monoisotopic Mass413.14745
SMILESCC[C@@H](/C=C/C(=O)O)CCC(=O)c1c(O)c(C)cc2c1C(=O)C=C(NC(C)=O)C2=O
InChIInChI=1S/C22H23NO7/c1-4-13(6-8-18(27)28)5-7-16(25)20-19-14(9-11(2)21(20)29)22(30)15(10-17(19)26)23-12(3)24/h6,8-10,13,29H,4-5,7H2,1-3H3,(H,23,24)(H,27,28)/b8-6+/t13-/m1/s1
InChIKeyLWEZQCDBZFEMFE-STMXVASLSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (25464499)
ChEBI Ontology
Outgoing Relation(s)
Divergolide N (CHEBI:227499) is a naphthoquinone (CHEBI:25481)
IUPAC Name 
(E,4R)-7-(6-acetamido-2-hydroxy-3-methyl-5,8-dioxonaphthalen-1-yl)-4-ethyl-7-oxohept-2-enoic acid
Manual XrefsDatabases
35516749ChemSpider