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CHEBI:217477 - Respinomycin B

ChEBI IDCHEBI:217477
ChEBI NameRespinomycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H43NO14
Net Charge0
Average Mass701.722
Monoisotopic Mass701.26836
SMILESCN[C@H]1[C@H](O)[C@H]2Oc3c(ccc4c3C(=O)c3c(cc5c(c3O)[C@@H](OC3OC(C)C(O)C(C)(O)C3OC)[C@@H](OC)[C@](C)(O)C5)C4=O)[C@](C)(O2)[C@H]1O
InChIInChI=1S/C35H43NO14/c1-12-27(41)34(3,44)30(46-7)32(47-12)49-26-17-13(11-33(2,43)29(26)45-6)10-15-18(22(17)38)23(39)19-14(21(15)37)8-9-16-25(19)48-31-24(40)20(36-5)28(42)35(16,4)50-31/h8-10,12,20,24,26-32,36,38,40-44H,11H2,1-7H3/t12?,20-,24-,26+,27?,28-,29+,30?,31-,32?,33+,34?,35-/m0/s1
InChIKeyHXEWDKDWENRZME-BJKYIISASA-N
Species of MetaboliteComponentSourceComments
Kitasatospora xanthocidica (ncbitaxon:83382) - PubMed (8344876)
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)
Respinomycin B (CHEBI:217477) is a anthracycline (CHEBI:48120)
IUPAC Name 
(1S,11R,12R,13R,21S,22S,23R,24S)-13-(4,5-dihydroxy-3-methoxy-4,6-dimethyloxan-2-yl)oxy-11,15,22,24-tetrahydroxy-12-methoxy-1,11-dimethyl-23-(methylamino)-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2(19),3,5(18),7(16),8,14-hexaene-6,17-dione
Manual XrefsDatabases
78445286ChemSpider