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CHEBI:212466 - 8-demethyl-8-L-digitoxosyltetracenomycin C

ChEBI IDCHEBI:212466
ChEBI Name8-demethyl-8-L-digitoxosyltetracenomycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H28O14
Net Charge0
Average Mass588.518
Monoisotopic Mass588.14791
SMILESCOC(=O)c1c(O[C@H]2C[C@@H](O)[C@@H](O)[C@H](C)O2)cc2cc3c(c(O)c2c1C)C(=O)[C@]1(O)C(=O)C=C(OC)[C@@H](O)[C@]1(O)C3=O
InChIInChI=1S/C28H28O14/c1-9-18-11(6-14(19(9)26(36)40-4)42-17-7-13(29)21(31)10(2)41-17)5-12-20(22(18)32)25(35)27(37)16(30)8-15(39-3)24(34)28(27,38)23(12)33/h5-6,8,10,13,17,21,24,29,31-32,34,37-38H,7H2,1-4H3/t10-,13+,17-,21-,24+,27+,28+/m0/s1
InChIKeySYMWSBRGJWUXNP-YHOVOYKASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (12444703)
ChEBI Ontology
Outgoing Relation(s)
8-demethyl-8-L-digitoxosyltetracenomycin C (CHEBI:212466) is a quinone (CHEBI:36141)
8-demethyl-8-L-digitoxosyltetracenomycin C (CHEBI:212466) is a tetracenes (CHEBI:51270)
IUPAC Name 
methyl (6aR,7S,10aR)-3-[(2S,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6a,7,10a,12-tetrahydroxy-8-methoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate
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9247163ChemSpider