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CHEBI:227494 - Divergolide M

ChEBI IDCHEBI:227494
ChEBI NameDivergolide M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H21NO6
Net Charge0
Average Mass371.389
Monoisotopic Mass371.13689
SMILESCC[C@@H](/C=C/C(=O)O)CCC(=O)c1c(O)c(C)cc2c1C(=O)C=C(N)C2=O
InChIInChI=1S/C20H21NO6/c1-3-11(5-7-16(24)25)4-6-14(22)18-17-12(8-10(2)19(18)26)20(27)13(21)9-15(17)23/h5,7-9,11,26H,3-4,6,21H2,1-2H3,(H,24,25)/b7-5+/t11-/m1/s1
InChIKeyDFFZTBBMANKCRF-OKPNEXGHSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (25464499)
ChEBI Ontology
Outgoing Relation(s)
Divergolide M (CHEBI:227494) is a naphthoquinone (CHEBI:25481)
IUPAC Name 
(E,4R)-7-(6-amino-2-hydroxy-3-methyl-5,8-dioxonaphthalen-1-yl)-4-ethyl-7-oxohept-2-enoic acid
Manual XrefsDatabases
35516748ChemSpider