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CHEBI:222156 - Barminomycin II

ChEBI IDCHEBI:222156
ChEBI NameBarminomycin II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H39NO13
Net Charge0
Average Mass657.669
Monoisotopic Mass657.24214
SMILESCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](OC2CC4NC(O)C(C)OC(CC(C)O)OC4C(C)O2)C1)C(=O)c1c(O)cccc1C3=O
InChIInChI=1S/C33H39NO13/c1-12(35)8-21-45-14(3)32(42)34-18-9-22(44-13(2)31(18)47-21)46-20-11-33(43,15(4)36)10-17-24(20)30(41)26-25(28(17)39)27(38)16-6-5-7-19(37)23(16)29(26)40/h5-7,12-14,18,20-22,31-32,34-35,37,39,41-43H,8-11H2,1-4H3/t12?,13?,14?,18?,20-,21?,22?,31?,32?,33-/m0/s1
InChIKeyAEGZAZQDUFJYDZ-ALQHIDJXSA-N
Species of MetaboliteComponentSourceComments
Actinomadura (ncbitaxon:1988) - PubMed (3163334)
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)
Barminomycin II (CHEBI:222156) is a anthracycline (CHEBI:48120)
IUPAC Name 
(7S,9S)-9-acetyl-4,6,9,11-tetrahydroxy-7-[[5-hydroxy-2-(2-hydroxypropyl)-4,10-dimethyl-4,5,6,6a,7,8,10,10a-octahydropyrano[3,4-d][1,3,6]dioxazocin-8-yl]oxy]-8,10-dihydro-7H-tetracene-5,12-dione