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CHEBI:225850 - 6"-cyano-6"-deoxy-TAN-1120

ChEBI IDCHEBI:225850
ChEBI Name6"-cyano-6"-deoxy-TAN-1120
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SubmitterMetaboLights
DownloadsMolfile
FormulaC35H40N2O12
Net Charge0
Average Mass680.707
Monoisotopic Mass680.25812
SMILESCOc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@@H]2NC(C#N)C(C)OC(CC(C)O)O[C@@H]2[C@H](C)O1
InChIInChI=1S/C35H40N2O12/c1-14(38)9-24-46-15(2)21(13-36)37-20-10-25(47-16(3)34(20)49-24)48-23-12-35(44,17(4)39)11-19-27(23)33(43)29-28(31(19)41)30(40)18-7-6-8-22(45-5)26(18)32(29)42/h6-8,14-16,20-21,23-25,34,37-38,41,43-44H,9-12H2,1-5H3/t14?,15?,16-,20-,21?,23-,24?,25-,34+,35-/m0/s1
InChIKeyXMDNHTUCEGYMFQ-UWWRACIZSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies HS-NF-1006 (ncbitaxon:1839622) - PubMed (27599767)
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)
6"-cyano-6"-deoxy-TAN-1120 (CHEBI:225850) is a anthracycline (CHEBI:48120)
IUPAC Name 
(6aS,8R,10S,10aS)-8-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-(2-hydroxypropyl)-4,10-dimethyl-4,5,6,6a,7,8,10,10a-octahydropyrano[3,4-d][1,3,6]dioxazocine-5-carbonitrile
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78445623ChemSpider