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CHEBI:224494 - Yellamycin B

ChEBI IDCHEBI:224494
ChEBI NameYellamycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H48N2O11
Net Charge0
Average Mass684.783
Monoisotopic Mass684.32581
SMILESCC[C@@]1(O)C[C@H](OC2CC(N(C)C)C(O)C(C)O2)c2cc3c(c(O)c2C1OC1CC(N(C)C)C(O)C(C)O1)C(=O)c1cccc(O)c1C3=O
InChIInChI=1S/C36H48N2O11/c1-8-36(45)15-24(48-25-13-21(37(4)5)30(40)16(2)46-25)19-12-20-28(32(42)18-10-9-11-23(39)27(18)33(20)43)34(44)29(19)35(36)49-26-14-22(38(6)7)31(41)17(3)47-26/h9-12,16-17,21-22,24-26,30-31,35,39-41,44-45H,8,13-15H2,1-7H3/t16?,17?,21?,22?,24-,25?,26?,30?,31?,35?,36+/m0/s1
InChIKeyLQNQZSVFAICQKC-IALHIJDZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces violaceus (ncbitaxon:1936) - PubMed (1955394)
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)
Yellamycin B (CHEBI:224494) is a anthracycline (CHEBI:48120)
IUPAC Name 
(7S,9R)-7,10-bis[[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy]-9-ethyl-4,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione