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CHEBI:224599 - 6108B

ChEBI IDCHEBI:224599
ChEBI Name6108B
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SubmitterMetaboLights
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FormulaC31H51NO10
Net Charge0
Average Mass597.746
Monoisotopic Mass597.35130
SMILESCC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)C[C@H](N(C)C)[C@@H]2O)[C@@H](CC(=O)O)C[C@@H](C)C(=O)/C=C/[C@]2(C)O[C@H]2[C@@H]1C
InChIInChI=1S/C31H51NO10/c1-9-24-19(5)29-31(6,42-29)11-10-22(33)16(2)12-20(14-25(35)36)28(18(4)23(34)15-26(37)40-24)41-30-27(38)21(32(7)8)13-17(3)39-30/h10-11,16-21,23-24,27-30,34,38H,9,12-15H2,1-8H3,(H,35,36)/b11-10+/t16-,17+,18+,19-,20-,21+,23-,24-,27+,28-,29+,30+,31+/m1/s1
InChIKeyLRRXBONPQFMFIU-NZHXQMHPSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (2088343)
ChEBI Ontology
Outgoing Relation(s)
6108B (CHEBI:224599) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
2-[(1S,2R,3R,7R,8S,9S,10R,12R,14E,16S)-9-[(2S,3S,4S,6S)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-7-hydroxy-2,8,12,16-tetramethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadec-14-en-10-yl]acetic acid
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78443224ChemSpider