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CHEBI:198316 - TAN-1120

ChEBI IDCHEBI:198316
ChEBI NameTAN-1120
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H41NO13
Net Charge0
Average Mass683.707
Monoisotopic Mass683.25779
SMILESCC(=O)c1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3OC1CC2NC(O)C(C)OC(CC(C)O)OC2C(C)O1
InChIInChI=1S/C35H41NO13/c1-13(37)9-23-47-16(4)34(44)36-21-10-24(46-15(3)33(21)49-23)48-22-12-35(45,17(5)39)11-20-26(22)32(43)28-27(30(20)41)29(40)19-8-6-7-18(14(2)38)25(19)31(28)42/h6-8,13,15-16,21-24,33-34,36-37,41,43-45H,9-12H2,1-5H3/t13?,15?,16?,21?,22-,23?,24?,33?,34?,35-/m0/s1
InChIKeyDXATXUUQDXTYOE-DXAQRUKPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (7684735)
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)
TAN-1120 (CHEBI:198316) is a anthracycline (CHEBI:48120)
IUPAC Name 
(7S,9S)-4,9-diacetyl-6,9,11-trihydroxy-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