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CHEBI:213160 - 18-Deoxy-18-dihydrospiramycin

ChEBI IDCHEBI:213160
ChEBI Name18-Deoxy-18-dihydrospiramycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H76N2O13
Net Charge0
Average Mass829.082
Monoisotopic Mass828.53474
SMILESCC[C@H]1C[C@@H](C)C(OC2CCC(N(C)C)C(C)O2)/C=C\C=C/C[C@@H](C)OC(=O)CC(O)[C@H](OC)[C@H]1OC1OC(C)C(OC2CC(C)(O)C(O)C(C)O2)C(N(C)C)C1O
InChIInChI=1S/C43H76N2O13/c1-13-29-21-24(2)32(56-34-20-19-30(44(8)9)26(4)53-34)18-16-14-15-17-25(3)52-33(47)22-31(46)40(51-12)39(29)58-42-37(48)36(45(10)11)38(27(5)55-42)57-35-23-43(7,50)41(49)28(6)54-35/h14-16,18,24-32,34-42,46,48-50H,13,17,19-23H2,1-12H3/b15-14-,18-16-/t24-,25-,26?,27?,28?,29+,30?,31?,32?,34?,35?,36?,37?,38?,39+,40+,41?,42?,43?/m1/s1
InChIKeyKHMFVGCYAPJHTA-IKLRWBPDSA-N
Species of MetaboliteComponentSourceComments
Streptomyces ambofaciens (ncbitaxon:1889) - PubMed (8642006)
ChEBI Ontology
Outgoing Relation(s)
18-Deoxy-18-dihydrospiramycin (CHEBI:213160) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(5S,6S,7S,9R,11Z,13Z,16R)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[5-(dimethylamino)-6-methyloxan-2-yl]oxy-7-ethyl-4-hydroxy-5-methoxy-9,16-dimethyl-1-oxacyclohexadeca-11,13-dien-2-one
Manual XrefsDatabases
78445270ChemSpider