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CHEBI:227886 - 1-Hydroxy-D778-6

ChEBI IDCHEBI:227886
ChEBI Name1-Hydroxy-D778-6
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H31NO12
Net Charge0
Average Mass573.551
Monoisotopic Mass573.18463
SMILESCC[C@@]1(O)C[C@H](OC2CC(N)C(O)C(C)O2)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1c(O)ccc(O)c1C3=O
InChIInChI=1S/C28H31NO12/c1-4-28(38)8-13(41-14-7-10(29)22(32)9(2)40-14)17-18(21(28)27(37)39-3)26(36)20-19(25(17)35)23(33)15-11(30)5-6-12(31)16(15)24(20)34/h5-6,9-10,13-14,21-22,30-32,35-36,38H,4,7-8,29H2,1-3H3/t9?,10?,13-,14?,21-,22?,28+/m0/s1
InChIKeyQZUSXQWRSHCKJZ-MIZHJACDSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (1473988)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
1-Hydroxy-D778-6 (CHEBI:227886) is a anthracycline (CHEBI:48120)
IUPAC Name 
methyl (1R,2R,4S)-4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2-ethyl-2,5,7,10,12-pentahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Manual XrefsDatabases
78445235ChemSpider