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CHEBI:211076 - methyl (1R,2R,4S)-2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

ChEBI IDCHEBI:211076
ChEBI Namemethyl (1R,2R,4S)-2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O10
Net Charge0
Average Mass444.392
Monoisotopic Mass444.10565
SMILESCC[C@@]1(O)C[C@H](O)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1c(O)ccc(O)c1C3=O
InChIInChI=1S/C22H20O10/c1-3-22(31)6-9(25)12-13(16(22)21(30)32-2)20(29)15-14(19(12)28)17(26)10-7(23)4-5-8(24)11(10)18(15)27/h4-5,9,16,23-25,28-29,31H,3,6H2,1-2H3/t9-,16-,22+/m0/s1
InChIKeyCIXXANXJCSBTFL-ACHUOPHGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces coeruleorubidus (ncbitaxon:116188) - PubMed (456946)
ChEBI Ontology
Outgoing Relation(s)
methyl (1R,2R,4S)-2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate (CHEBI:211076) is a quinone (CHEBI:36141)
methyl (1R,2R,4S)-2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate (CHEBI:211076) is a tetracenes (CHEBI:51270)
IUPAC Name 
methyl (1R,2R,4S)-2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
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146935ChemSpider