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CHEBI:210901 - Nenestatin A

ChEBI IDCHEBI:210901
ChEBI NameNenestatin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H31NO8
Net Charge0
Average Mass509.555
Monoisotopic Mass509.20497
SMILESCCC1(O[C@H]2C[C@H](N(C)C)[C@@H](OC)[C@H](C)O2)C=CC2=C3C(=O)c4c(O)ccc(O)c4C(=O)C3=CC2=C1O
InChIInChI=1S/C28H31NO8/c1-6-28(37-20-12-17(29(3)4)26(35-5)13(2)36-20)10-9-14-15(27(28)34)11-16-21(14)25(33)23-19(31)8-7-18(30)22(23)24(16)32/h7-11,13,17,20,26,30-31,34H,6,12H2,1-5H3/t13-,17-,20-,26-,28?/m0/s1
InChIKeyUXGXZONKJVEYNM-SANFDALLSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - DOI (10.1016/j.tet.2017.03.054)
ChEBI Ontology
Outgoing Relation(s)
Nenestatin A (CHEBI:210901) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
2-[(2S,4S,5R,6S)-4-(dimethylamino)-5-methoxy-6-methyloxan-2-yl]oxy-2-ethyl-1,6,9-trihydroxybenzo[b]luorene-5,10-dione
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78439167ChemSpider