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CHEBI:223192 - Sulfurmycin C

ChEBI IDCHEBI:223192
ChEBI NameSulfurmycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H45NO14
Net Charge0
Average Mass727.760
Monoisotopic Mass727.28401
SMILESCOC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O[C@@H]2C[C@H](N(C)C)[C@H](O[C@@H]4C[C@@H](O)[C@@H](O)[C@@H](C)O4)[C@H](C)O2)C[C@]1(O)CC(C)=O)C(=O)c1c(O)cccc1C3=O
InChIInChI=1S/C37H45NO14/c1-15(39)13-37(47)14-24(51-25-11-21(38(4)5)35(17(3)50-25)52-26-12-23(41)31(42)16(2)49-26)28-19(30(37)36(46)48-6)10-20-29(34(28)45)33(44)27-18(32(20)43)8-7-9-22(27)40/h7-10,16-17,21,23-26,30-31,35,40-42,45,47H,11-14H2,1-6H3/t16-,17+,21+,23-,24+,25-,26-,30+,31+,35-,37-/m1/s1
InChIKeyPSUQQLCSYKMETC-IOWPHPMDSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (7186414)
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)
Sulfurmycin C (CHEBI:223192) is a anthracycline (CHEBI:48120)
IUPAC Name 
methyl (1R,2S,4S)-4-[(2S,4S,5S,6S)-5-[(2R,4R,5R,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-6,11-dioxo-2-(2-oxopropyl)-3,4-dihydro-1H-tetracene-1-carboxylate
Manual XrefsDatabases
78443067ChemSpider