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CHEBI:219065 - 8-demethyl-8-D-glucosyltetracenomycin C

ChEBI IDCHEBI:219065
ChEBI Name8-demethyl-8-D-glucosyltetracenomycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H28O16
Net Charge0
Average Mass620.516
Monoisotopic Mass620.13773
SMILESCOC(=O)c1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2cc3c(c(O)c2c1C)C(=O)[C@]1(O)C(=O)C=C(OC)[C@@H](O)[C@]1(O)C3=O
InChIInChI=1S/C28H28O16/c1-8-15-9(5-11(16(8)25(38)42-3)43-26-21(34)20(33)18(31)13(7-29)44-26)4-10-17(19(15)32)24(37)27(39)14(30)6-12(41-2)23(36)28(27,40)22(10)35/h4-6,13,18,20-21,23,26,29,31-34,36,39-40H,7H2,1-3H3/t13-,18-,20+,21-,23-,26-,27-,28-/m1/s1
InChIKeyKFCYCGQFYQCWHV-KZHGEDNHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (12444703)
ChEBI Ontology
Outgoing Relation(s)
8-demethyl-8-D-glucosyltetracenomycin C (CHEBI:219065) is a quinone (CHEBI:36141)
8-demethyl-8-D-glucosyltetracenomycin C (CHEBI:219065) is a tetracenes (CHEBI:51270)
IUPAC Name 
methyl (6aR,7S,10aR)-6a,7,10a,12-tetrahydroxy-8-methoxy-1-methyl-6,10,11-trioxo-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7H-tetracene-2-carboxylate
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10232959ChemSpider