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CHEBI:198676 - 11-Hydroxy-aclacinomycin B

Default Structure
ChEBI IDCHEBI:198676
ChEBI Name11-Hydroxy-aclacinomycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H51NO16
Net Charge0
Average Mass825.861
Monoisotopic Mass825.32078
SMILESCC[C@@]1(O)C[C@H](OC2CC(N(C)C)C(OC3CC4OC5CC(=O)C(C)OC5OC4C(C)O3)C(C)O2)c2c(O)c3c(c(O)c2C1C(=O)OC)C(=O)c1cccc(O)c1C3=O
InChIInChI=1S/C42H51NO16/c1-8-42(51)15-25(29-30(33(42)40(50)52-7)37(49)31-32(36(29)48)35(47)28-19(34(31)46)10-9-11-21(28)44)57-26-12-20(43(5)6)38(17(3)53-26)58-27-14-23-39(18(4)54-27)59-41-24(56-23)13-22(45)16(2)55-41/h9-11,16-18,20,23-27,33,38-39,41,44,48-49,51H,8,12-15H2,1-7H3/t16?,17?,18?,20?,23?,24?,25-,26?,27?,33?,38?,39?,41?,42+/m0/s1
InChIKeyDKXGZTHFCJJLIP-VNRNZZGISA-N
Species of MetaboliteComponentSourceComments
Streptomyces galilaeus (ncbitaxon:33899) - PubMed (8641998)
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)
11-Hydroxy-aclacinomycin B (CHEBI:198676) is a anthracycline (CHEBI:48120)
IUPAC Name 
methyl (2R,4S)-4-[4-(dimethylamino)-5-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)oxy]-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Manual XrefsDatabases
78445575ChemSpider