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CHEBI:222161 - Barminomycin I

ChEBI IDCHEBI:222161
ChEBI NameBarminomycin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H37NO12
Net Charge0
Average Mass639.654
Monoisotopic Mass639.23158
SMILESCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](OC2CC4N=CC(C)OC(CC(C)O)OC4C(C)O2)C1)C(=O)c1c(O)cccc1C3=O
InChIInChI=1S/C33H37NO12/c1-13(35)8-22-43-14(2)12-34-19-9-23(44-15(3)32(19)46-22)45-21-11-33(42,16(4)36)10-18-25(21)31(41)27-26(29(18)39)28(38)17-6-5-7-20(37)24(17)30(27)40/h5-7,12-15,19,21-23,32,35,37,39,41-42H,8-11H2,1-4H3/t13?,14?,15?,19?,21-,22?,23?,32?,33-/m0/s1
InChIKeyWFTIALXZVDZJDB-GYKFHTJVSA-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 I (CHEBI:222161) is a anthracycline (CHEBI:48120)
IUPAC Name 
(7S,9S)-9-acetyl-4,6,9,11-tetrahydroxy-7-[[2-(2-hydroxypropyl)-4,10-dimethyl-4,6a,7,8,10,10a-hexahydropyrano[3,4-d][1,3,6]dioxazocin-8-yl]oxy]-8,10-dihydro-7H-tetracene-5,12-dione