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CHEBI:223912 - AB-74

ChEBI IDCHEBI:223912
ChEBI NameAB-74
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H39N3O13
Net Charge0
Average Mass541.551
Monoisotopic Mass541.24829
SMILESCNC1CC(NC)C(O)C(OC2OC(CO)C(O)C3OC4(OC(C(N)CO)C(O)C(O)C4O)OC23)C1O
InChIInChI=1S/C21H39N3O13/c1-23-7-3-8(24-2)11(28)16(10(7)27)34-20-18-17(12(29)9(5-26)33-20)36-21(37-18)19(32)14(31)13(30)15(35-21)6(22)4-25/h6-20,23-32H,3-5,22H2,1-2H3
InChIKeyXQRJFJIKNNEPNI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (956048)
ChEBI Ontology
Outgoing Relation(s)
AB-74 (CHEBI:223912) is a amino cyclitol (CHEBI:61689)
IUPAC Name 
6'-(1-amino-2-hydroxyethyl)-4-[2,6-dihydroxy-3,5-bis(methylamino)cyclohexyl]oxy-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-3',4',5',7-tetrol
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170718ChemSpider