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CHEBI:223078 - Grecocycline C

ChEBI IDCHEBI:223078
ChEBI NameGrecocycline C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H49NO13
Net Charge0
Average Mass715.793
Monoisotopic Mass715.32039
SMILESCC1=CC(=O)[C@@H](O)[C@](O)([C@@H](CC2=C(O)c3c(ccc(C4CCC(OC5CCC(O)C(C)O5)C(C)O4)c3O)C(=O)C2=O)OC2CCC(N)C(C)O2)C1
InChIInChI=1S/C37H49NO13/c1-16-13-25(40)36(45)37(46,15-16)28(51-30-11-7-23(38)17(2)48-30)14-22-33(42)31-21(34(43)35(22)44)6-5-20(32(31)41)27-10-9-26(19(4)47-27)50-29-12-8-24(39)18(3)49-29/h5-6,13,17-19,23-24,26-30,36,39,41-42,45-46H,7-12,14-15,38H2,1-4H3/t17?,18?,19?,23?,24?,26?,27?,28-,29?,30?,36-,37-/m1/s1
InChIKeyWTGIIZMZZKBZQF-CNUCWHPSSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - DOI (10.1002/ejoc.201000054)
ChEBI Ontology
Outgoing Relation(s)
Grecocycline C (CHEBI:223078) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
3-[(2R)-2-(5-amino-6-methyloxan-2-yl)oxy-2-[(1S,6S)-1,6-dihydroxy-3-methyl-5-oxocyclohex-3-en-1-yl]ethyl]-4,5-dihydroxy-6-[5-(5-hydroxy-6-methyloxan-2-yl)oxy-6-methyloxan-2-yl]naphthalene-1,2-dione
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