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CHEBI:197577 - n-Isorhodomycinone

ChEBI IDCHEBI:197577
ChEBI Namen-Isorhodomycinone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H16O8
Net Charge0
Average Mass408.362
Monoisotopic Mass408.08452
SMILESCCc1ccc2c(c1C(=O)OC)C(=O)c1c(c(O)c3c(O)ccc(O)c3c1O)C2=O
InChIInChI=1S/C22H16O8/c1-3-8-4-5-9-13(12(8)22(29)30-2)19(26)17-16(18(9)25)20(27)14-10(23)6-7-11(24)15(14)21(17)28/h4-7,23-24,27-28H,3H2,1-2H3
InChIKeyOMDREUAXDJZOKC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces galilaeus (ncbitaxon:33899) - PubMed (527903)
ChEBI Ontology
Outgoing Relation(s)
n-Isorhodomycinone (CHEBI:197577) is a quinone (CHEBI:36141)
n-Isorhodomycinone (CHEBI:197577) is a tetracenes (CHEBI:51270)
IUPAC Name 
methyl 2-ethyl-6,7,10,11-tetrahydroxy-5,12-dioxotetracene-1-carboxylate
Manual XrefsDatabases
167740ChemSpider