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CHEBI:223828 - Respinomycin C

ChEBI IDCHEBI:223828
ChEBI NameRespinomycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H45NO14
Net Charge0
Average Mass715.749
Monoisotopic Mass715.28401
SMILESCOC1C(O[C@@H]2c3c(cc4c(c3O)C(=O)c3c(ccc5c3O[C@H]3O[C@]5(C)[C@@H](O)[C@@H](N(C)C)[C@@H]3O)C4=O)C[C@@](C)(O)[C@@H]2OC)OC(C)C(O)C1(C)O
InChIInChI=1S/C36H45NO14/c1-13-28(42)35(3,45)31(47-8)33(48-13)50-27-18-14(12-34(2,44)30(27)46-7)11-16-19(23(18)39)24(40)20-15(22(16)38)9-10-17-26(20)49-32-25(41)21(37(5)6)29(43)36(17,4)51-32/h9-11,13,21,25,27-33,39,41-45H,12H2,1-8H3/t13?,21-,25-,27+,28?,29-,30+,31?,32-,33?,34+,35?,36-/m0/s1
InChIKeyBZFHXAJTVQBODO-WJQQIYQJSA-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 C (CHEBI:223828) 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-23-(dimethylamino)-11,15,22,24-tetrahydroxy-12-methoxy-1,11-dimethyl-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
78445313ChemSpider