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CHEBI:210053 - Aminoansamycin A

ChEBI IDCHEBI:210053
ChEBI NameAminoansamycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H21NO6
Net Charge0
Average Mass347.367
Monoisotopic Mass347.13689
SMILESCC(=O)O[C@@H]1CC2/C=C/C[C@@H](O)[C@@H](C)C(=O)Nc3cc(O)cc1c3O2
InChIInChI=1S/C18H21NO6/c1-9-15(22)5-3-4-12-8-16(24-10(2)20)13-6-11(21)7-14(17(13)25-12)19-18(9)23/h3-4,6-7,9,12,15-16,21-22H,5,8H2,1-2H3,(H,19,23)/b4-3+/t9-,12?,15-,16-/m1/s1
InChIKeyYJSOUILKFKROBD-ZHBNQRQASA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies S35 (ncbitaxon:1456732) - PubMed (31525059)
ChEBI Ontology
Outgoing Relation(s)
Aminoansamycin A (CHEBI:210053) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
[(4R,5R,7E,9S,11R)-5,14-dihydroxy-4-methyl-3-oxo-17-oxa-2-azatricyclo[7.6.2.012,16]heptadeca-1(15),7,12(16),13-tetraen-11-yl] acetate