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CHEBI:216474 - Spectomycin A2

ChEBI IDCHEBI:216474
ChEBI NameSpectomycin A2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H18O7
Net Charge0
Average Mass358.346
Monoisotopic Mass358.10525
SMILESCOC(=CC(=O)O)C1c2cc3cccc(O)c3c(O)c2C(=O)CC1(C)O
InChIInChI=1S/C19H18O7/c1-19(25)8-12(21)16-10(17(19)13(26-2)7-14(22)23)6-9-4-3-5-11(20)15(9)18(16)24/h3-7,17,20,24-25H,8H2,1-2H3,(H,22,23)
InChIKeyOBCPKCVHPDMGIX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspeciesctabilis (ncbitaxon:68270) - PubMed (7844036)
ChEBI Ontology
Outgoing Relation(s)
Spectomycin A2 (CHEBI:216474) is a anthracenes (CHEBI:46955)
IUPAC Name 
3-methoxy-3-(2,5,10-trihydroxy-2-methyl-4-oxo-1,3-dihydroanthracen-1-yl)prop-2-enoic acid
Manual XrefsDatabases
78435134ChemSpider