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CHEBI:225819 - 3,8-didemethyltetracenomycinC

ChEBI IDCHEBI:225819
ChEBI Name3,8-didemethyltetracenomycinC
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H16O11
Net Charge0
Average Mass444.348
Monoisotopic Mass444.06926
SMILESCOC(=O)c1c(O)cc2cc3c(c(O)c2c1C)C(=O)[C@]1(O)C(O)=CC(=O)[C@@H](O)[C@]1(O)C3=O
InChIInChI=1S/C21H16O11/c1-6-12-7(4-9(22)13(6)19(29)32-2)3-8-14(15(12)25)18(28)20(30)11(24)5-10(23)17(27)21(20,31)16(8)26/h3-5,17,22,24-25,27,30-31H,1-2H3/t17-,20-,21-/m1/s1
InChIKeyRRSIJNHHCFDBAO-DUXKGJEZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1002/anie.199511071)
ChEBI Ontology
Outgoing Relation(s)
3,8-didemethyltetracenomycinC (CHEBI:225819) is a quinone (CHEBI:36141)
3,8-didemethyltetracenomycinC (CHEBI:225819) is a tetracenes (CHEBI:51270)
IUPAC Name 
methyl (6aR,7S,10aS)-3,6a,7,10,10a,12-hexahydroxy-1-methyl-6,8,11-trioxo-7H-tetracene-2-carboxylate
Manual XrefsDatabases
78442678ChemSpider