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CHEBI:220853 - Aclidinomycin A

ChEBI IDCHEBI:220853
ChEBI NameAclidinomycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25N3O6
Net Charge0
Average Mass415.446
Monoisotopic Mass415.17434
SMILESCOC1=C(C)C(=O)[C@]2(O)C(=C3CO[C@@H]4[C@H]5C[C@H]6[C@H]([C@H]([C@@H]2N2CCO[C@@H]62)N34)N5C)C1=O
InChIInChI=1S/C21H25N3O6/c1-8-16(28-3)15(25)12-11-7-30-20-10-6-9-13(22(10)2)14(24(11)20)17(21(12,27)18(8)26)23-4-5-29-19(9)23/h9-10,13-14,17,19-20,27H,4-7H2,1-3H3/t9-,10+,13+,14+,17-,19-,20+,21-/m0/s1
InChIKeyMXQLXPOMPYTJAB-MHKSUAGHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (11372787)
ChEBI Ontology
Outgoing Relation(s)
Aclidinomycin A (CHEBI:220853) is a isoquinolines (CHEBI:24922)
IUPAC Name 
(1R,3R,12S,13S,18S,19S,21R,23R)-12-hydroxy-9-methoxy-10,22-dimethyl-4,17-dioxa-2,14,22-triazaheptacyclo[11.10.0.02,6.03,21.07,12.014,18.019,23]tricosa-6,9-diene-8,11-dione