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CHEBI:197930 - (9R,10S)-7-Desoxy-z-rhodomycinone

ChEBI IDCHEBI:197930
ChEBI Name(9R,10S)-7-Desoxy-z-rhodomycinone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O8
Net Charge0
Average Mass412.394
Monoisotopic Mass412.11582
SMILESCC[C@@]1(O)CCc2c(O)c3c(c(O)c2[C@@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O
InChIInChI=1S/C22H20O8/c1-3-22(29)8-7-10-13(16(22)21(28)30-2)20(27)15-14(18(10)25)19(26)12-9(17(15)24)5-4-6-11(12)23/h4-6,16,23,25,27,29H,3,7-8H2,1-2H3/t16-,22-/m1/s1
InChIKeyKXNYQVVGFPFVJR-OPAMFIHVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1007/s11274-008-9787-2)
ChEBI Ontology
Outgoing Relation(s)
(9R,10S)-7-Desoxy-z-rhodomycinone (CHEBI:197930) is a quinone (CHEBI:36141)
(9R,10S)-7-Desoxy-z-rhodomycinone (CHEBI:197930) is a tetracenes (CHEBI:51270)
IUPAC Name 
methyl (1S,2R)-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
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