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CHEBI:207030 - Spectomycin A1

ChEBI IDCHEBI:207030
ChEBI NameSpectomycin A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O7
Net Charge0
Average Mass372.373
Monoisotopic Mass372.12090
SMILESCOC(=CC(=O)O)C1c2cc3cccc(OC)c3c(O)c2C(=O)CC1(C)O
InChIInChI=1S/C20H20O7/c1-20(25)9-12(21)17-11(18(20)14(27-3)8-15(22)23)7-10-5-4-6-13(26-2)16(10)19(17)24/h4-8,18,24-25H,9H2,1-3H3,(H,22,23)
InChIKeyXLWNJIRNWLVIGU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspeciesctabilis (ncbitaxon:68270) - PubMed (7844036)
ChEBI Ontology
Outgoing Relation(s)
Spectomycin A1 (CHEBI:207030) is a anthracenes (CHEBI:46955)
IUPAC Name 
3-(2,10-dihydroxy-5-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-1-yl)-3-methoxyprop-2-enoic acid
Manual XrefsDatabases
78434834ChemSpider