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CHEBI:220847 - Aclidinomycin B

ChEBI IDCHEBI:220847
ChEBI NameAclidinomycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25N3O7
Net Charge0
Average Mass431.445
Monoisotopic Mass431.16925
SMILESCOC1=C(C)C(=O)C2(O)C(=C3C(O)OC4[C@@H]5C[C@@H]6C7OCCN7C2C([C@@H]6N5C)N34)C1=O
InChIInChI=1S/C21H25N3O7/c1-7-15(29-3)14(25)10-12-20(27)31-19-9-6-8-11(22(9)2)13(24(12)19)16(21(10,28)17(7)26)23-4-5-30-18(8)23/h8-9,11,13,16,18-20,27-28H,4-6H2,1-3H3/t8-,9-,11+,13?,16?,18?,19?,20?,21?/m0/s1
InChIKeyWPPGPABOHAFRPK-LMIBOXEZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (11372787)
ChEBI Ontology
Outgoing Relation(s)
Aclidinomycin B (CHEBI:220847) is a isoquinolines (CHEBI:24922)
IUPAC Name 
(19S,21S,23R)-5,12-dihydroxy-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